SCHEMBL6921960

SCHEMBL6921960

C/C(=C\C(C)C)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.57
GABRG2 P18507 8/20 0.57
GABRB3 P28472 8/20 0.57
GABRB2 P47870 5/20 0.57
GABRB1 P18505 2/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.39

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
SCHEMBL12198001 1.00 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL14944914 0.84 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL18557491 0.83 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL15119918 0.81 TSHR (0.50) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL15119917 0.81 MEN1 (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL12224079 0.80 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL12820003 0.80 GABRA1 (0.65) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL992503 0.77 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL1120522 0.77 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9592487 0.75 MEN1 (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-01-01 US disclosed
US-8859561-B2 Pyrido[4,3-b]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-14 US disclosed
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-05-30 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 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-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 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 (7 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-20150005322-A1 PYRIDO[3,4-B] INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 GABRA1 143/4885GABRG2 238/4885GABRB3 120/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 146/4885GABRG2 241/4885GABRB3 121/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 144/4885GABRG2 234/4885GABRB3 118/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 144/4885GABRG2 234/4885GABRB3 118/4885
US-20130137705-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 144/4885GABRG2 234/4885GABRB3 118/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C GABRA1 100/4885GABRG2 170/4885GABRB3 72/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GABRA1 144/4885GABRG2 234/4885GABRB3 118/4885

“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.