SCHEMBL89415

SCHEMBL89415

COCCCOc1cc(Br)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
AR P10275 5/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
IDH1 O75874 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
SCHEMBL8436504 0.92 EGFR (0.47) EGFRERBB2SMN1; SMN2ARMAOA
SCHEMBL2774024 0.86 HPGD (0.49) EGFRSMN1; SMN2ALDH1A1ARKMT2A
SCHEMBL13581220 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1ARHPGD
SCHEMBL16596421 0.83 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1ARHPGD
SCHEMBL430108 0.83 EGFR (0.47) EGFRERBB2ALDH1A1ARKDM4E
SCHEMBL88797 0.83 AR (0.45) SMN1; SMN2ALDH1A1ARKDM4EKMT2A
SCHEMBL16279970 0.81 PDE4B (0.46) ALDH1A1ARMAOAMAOBHPGD
SCHEMBL14820128 0.81 MAOB (0.42) ALDH1A1ARKDM4EMAOAMAOB
SCHEMBL30108128 0.81 PDE4B (0.46) ALDH1A1ARMAOAMAOBHPGD
SCHEMBL429553 0.80 KDM4E (0.50) SMN1; SMN2ALDH1A1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 EGFR 3938/4885ERBB2 3187/4885SMN1; SMN2 1867/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC EGFR 4547/4885ERBB2 3764/4885SMN1; SMN2 2243/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO EGFR 4472/4885ERBB2 3766/4885SMN1; SMN2 2488/4885

“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.