SCHEMBL12389781

SCHEMBL12389781

COC(=O)c1ccc2c(c1)C(c1ccc(F)cc1OC)=CCC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ LMNA P02545 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
SCHEMBL12389086 0.91 MAPK14 (0.45) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL12389028 0.90 LMNA (0.44) MAPK14CCNT1CDK9RAB9AALDH1A1
SCHEMBL12365404 0.88 MAPK14 (0.54) MAPK14MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12389005 0.87 MAPK14 (0.41) MAPK14MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL12389839 0.87 KMT2A (0.44) KDM4EMAPTCYP1A2ATMNPC1
SCHEMBL12365083 0.87 MAPK14 (0.48) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL12389756 0.87 MAPT (0.45) MAPK14KDM4EMAPTRAB9AALDH1A1
SCHEMBL12365312 0.86 MAPK14 (0.48) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL12389888 0.86 MEN1 (0.45) MAPK14KDM4EMAPTNPC1RAB9A
SCHEMBL12365406 0.86 MAPK14 (0.49) MAPK14KDM4EMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 (1 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPK14 3304/4885KDM4E 1455/4885MAPT 463/4885

“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.

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