SCHEMBL12197860

SCHEMBL12197860

C=C(NC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
TRPA1 O75762 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
P2RX7 Q99572 1/20 0.37
S1PR3 Q99500 1/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20086455 0.83 HTT (0.45) ALDH1A1HTTSMN1; SMN2HPGDMEN1
SCHEMBL22194103 0.81 MEN1 (0.41) ALDH1A1HTTGAACES2CES1
SCHEMBL26339532 0.81 MLYCD (0.35) ALDH1A1GAAMAPTALOX15L3MBTL1
SCHEMBL19708006 0.79 ALDH1A1 (0.42) ALDH1A1HTTMAOAMAOBCES2
SCHEMBL12197839 0.78 NPSR1 (0.45) ALDH1A1MAOAMAOBGAAMAPT
SCHEMBL22560552 0.76 MEN1 (0.47) ALDH1A1TRPA1MEN1RAB9AKMT2A
SCHEMBL18457376 0.76 TAS1R3 (0.45) ALDH1A1ALOX15SMN1; SMN2
SCHEMBL27396355 0.75 ALDH1A1 (0.50) ALDH1A1HTTGAAMAPTTRPA1
SCHEMBL8185351 0.75 HTT (0.65) ALDH1A1HTTGAAMAPTTRPA1
SCHEMBL17108523 0.75 MAOA (0.47) ALDH1A1MAOAMAOBCYP3A4MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-11414400-B2 Method for preparing sulfonamides drugs ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-08-16 US disclosed
US-11370807-B2 Process for preparing sulfonamide compounds ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-06-28 US disclosed
US-20220009952-A1 PROCESS FOR PREPARING SULFONAMIDE COMPOUNDS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2022-01-13 US disclosed
US-20210221788-A1 METHOD FOR PREPARING SULFONAMIDES DRUGS ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2021-07-22 US disclosed
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-16 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV ALDH1A1 858/4885HTT 4567/4885MAOA 3734/4885
US-11414400-B2 Method for preparing sulfonamides drugs BCL2, BCL3, BAK1 ALDH1A1 1566/4885HTT 1834/4885MAOA 3778/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1558/4885HTT 310/4885MAOA 74/4885
US-11370807-B2 Process for preparing sulfonamide compounds BCL2, BCL3, BAX ALDH1A1 2547/4885HTT 2798/4885MAOA 4050/4885
US-20130123277-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 ALDH1A1 1547/4885HTT 339/4885MAOA 70/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C ALDH1A1 1335/4885HTT 177/4885MAOA 75/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885HTT 324/4885MAOA 72/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 ALDH1A1 1456/4885HTT 262/4885MAOA 124/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 ALDH1A1 1607/4885HTT 349/4885MAOA 70/4885
US-20210221788-A1 METHOD FOR PREPARING SULFONAMIDES DRUGS BCL2, BCL3, BAK1 ALDH1A1 1566/4885HTT 1834/4885MAOA 3778/4885
US-20220009952-A1 PROCESS FOR PREPARING SULFONAMIDE COMPOUNDS BCL2, BCL3, BAX ALDH1A1 2547/4885HTT 2798/4885MAOA 4050/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ALDH1A1 1048/4885HTT 1115/4885MAOA 146/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C ALDH1A1 1335/4885HTT 177/4885MAOA 75/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ALDH1A1 1514/4885HTT 324/4885MAOA 72/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.