SCHEMBL1078809

SCHEMBL1078809

COC(=O)c1cc(Cl)cc2cnn(CC(OC)OC)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.37
RXFP1 Q9HBX9 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
KMT2A Q03164 2/20 0.34
SERPINH1 P50454 1/20 0.34
SHMT2 P34897 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 1/20 0.33
MAPK1 P28482 1/20 0.33
SPR P35270 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTR2B P41595 1/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL16929788 0.89 MAPK1 (0.42) KMORXFP1HTR2AHTR2CKMT2A
SCHEMBL1081290 0.88 TP53 (0.39) KMOHTR2AHTR2CKMT2ARAB9A
SCHEMBL1080619 0.86 CA12 (0.39) HTR2AHTR2CKMT2AMAPK1SPR
SCHEMBL1080590 0.86 CYP11B1 (0.37) HTR2AHTR2CKMT2ARAB9ASMN1; SMN2
SCHEMBL1080629 0.85 KMT2A (0.38) HTR2AHTR2CKMT2ASHMT2RAB9A
SCHEMBL1081272 0.85 KMT2A (0.36) KMT2AMAPK1SPRKDM4EALDH1A1
SCHEMBL16929764 0.82 MAPK1 (0.41) KMORXFP1KMT2ASERPINH1SMN1; SMN2
SCHEMBL1081174 0.82 KMT2A (0.37) KMORXFP1KMT2ASERPINH1RAB9A
SCHEMBL21458287 0.78 KMT2A (0.41) RXFP1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL21506717 0.78 KMT2A (0.41) KMT2ARAB9ASMN1; SMN2KDM4EMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-25 US disclosed
EP-2459563-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-06-06 EP disclosed
WO-2011008572-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-20 WO 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 (2 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-20120270857-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KMO 225/4885RXFP1 297/4885HTR2A 13/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B KMO 225/4885RXFP1 297/4885HTR2A 13/4885

“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.