SCHEMBL631634

SCHEMBL631634

Clc1cccc(NCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MAOB P27338 3/20 0.59
PLA2G1B P04054 1/20 0.59
HPGD P15428 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
KDM4E B2RXH2 3/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.55
EGFR P00533 3/20 0.52
CDK1 P06493 2/20 0.52
PRKCA P17252 2/20 0.52
ABL1 P00519 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.50

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
Hydrochloric Acid SCHEMBL7102271 0.98 LMNA (0.58) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL632217 0.90 CHRM2 (0.55) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL11513070 0.90 FFAR1 (0.57) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL632349 0.89 EGFR (0.59) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL1196472 0.89 MAOB (0.56) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL6700054 0.86 CHRM2 (0.55) MAOBKDM4EMAPTGAAMEN1
SCHEMBL6690772 0.86 HTT (0.57) MEN1KMT2AMETAP2
SCHEMBL11510373 0.85 GAA (0.51) LMNAMAOBPLA2G1BHPGDATG4B
SCHEMBL12846667 0.84 FFAR1 (0.62) MAPTMEN1KMT2A
SCHEMBL8546536 0.84 HPGD (0.58) LMNAMAOBPLA2G1BHPGDATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294714-A Imidazoles methylamine like derivative and its synthetic method with indoles amine -2,3- dioxygenase (IDO) inhibitor activity 西华大学 2019-10-01 CN disclosed
CN-110294713-A A kind of preparation method of imidazoles methylamine like derivative 西华大学 2019-10-01 CN disclosed
CN-107793367-A A kind of method for synthesizing people's Microsomal prostaglandin synthetase 1 inhibitor FR20 南京理工大学 2018-03-13 CN disclosed
CN-104447354-B A kind of green method that amine derivative is prepared by alkohol and amine 温州大学 2017-06-20 CN disclosed
CN-104447354-A Green method for preparing amine derivatives from alcohols and amines UNIV WENZHOU 2015-03-25 CN disclosed
US-8604056-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-10 US disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
CN-102146007-B Method for preparing secondary amine and tertiary amine DALIAN CHEMICAL PHYSICS INST 2013-10-23 CN disclosed
CN-101528710-B Aminomethyl-4-imidazoles HOFFMANN LA ROCHE 2012-11-07 CN disclosed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-10-11 US disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
EP-1732923-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005099706-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-27 WO disclosed
EP-1020443-B1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF AZWELL INC (JP) 2003-09-10 EP disclosed
US-6172228-B1 Process for producing piperazinesulfonamide derivatives and salts thereof AZWELL INC. (JP) 2001-01-09 US disclosed
EP-1020443-A1 PROCESS FOR PRODUCING PIPERAZINESULFONAMIDE DERIVATIVES AND SALTS THEREOF Azwell Inc. (JP) 2000-07-19 EP disclosed
US-4152452-A N-BENZYLANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1979-05-01 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 (3 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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 LMNA 655/4885MAOB 589/4885PLA2G1B 1577/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R LMNA 3570/4885MAOB 124/4885PLA2G1B 4539/4885
US-20070238751-A1 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRNG, CHRM2 LMNA 4137/4885MAOB 341/4885PLA2G1B 1189/4885

“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.