SCHEMBL12380906

SCHEMBL12380906

CCNCCCCCOCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
KDM1A O60341 5/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SAT1 P21673 3/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 2/20 0.36

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
SCHEMBL13492945 0.98 CYP2C19 (0.55) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL23308073 0.96 CYP2C19 (0.48) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL13822544 0.90 CYP2C19 (0.57) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL4236221 0.90
SCHEMBL15442502 0.87 CYP2C19 (0.60) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL20710373 0.87 ALDH1A1 (0.48) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL20634245 0.86 CYP2C19 (0.52) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL5933472 0.85 ALDH1A1 (0.46) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL22848917 0.84 TSHR (0.56) CYP2C19CYP1A2KDM1AMEN1GLA
SCHEMBL8979952 0.84 TSHR (0.56) CYP2C19CYP1A2KDM1AMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 US disclosed
US-8008329-B2 Method of treating or preventing osteoporosis comprising administering to a patient in need thereof an effective amount of pharmacuetical composition comprising benzamidine derivative or it's salt, and bisphosphonate DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-08-30 US disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE Dong Wha Pharm, Co. Ltd. (KR) 2010-02-04 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 (4 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 CYP2C19 2893/4885CYP1A2 3621/4885KDM1A 3522/4885
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CYP2C19 4850/4885CYP1A2 4266/4885KDM1A 3095/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL CYP2C19 4850/4885CYP1A2 4266/4885KDM1A 3095/4885
US-20100029596-A1 METHOD OF TREATING OR PREVENTING OSTEOPOROSIS COMPRISING ADMINISTERING TO A PATIENT IN NEED THEREOF AN EFFECTIVE AMOUNT OF PHARMACUETICAL COMPOSITION COMPRISING BENZAMIDINE DERIVATIVE OR IT'S SALT, AND BISPHOSPHONATE SOST, BPGM, PTH1R CYP2C19 1515/4885CYP1A2 3605/4885KDM1A 2943/4885

“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.