SCHEMBL5254409

SCHEMBL5254409

[O]CCCCCCc1cccc(I)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
IGF1R P08069 1/20 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
SCHEMBL18242590 0.98 IDO1 (0.47) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL16414600 0.92 IDO1 (0.48) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL5241784 0.85 IDO1 (0.54) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL16414471 0.83 IDO1 (0.52) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL23347584 0.82 LPL (0.57) HIF1ALMNALPLLIPGPPARG
SCHEMBL8658620 0.82 CYP4F2 (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL5599314 0.82 LPL (0.57) HIF1ALMNALPLLIPGPPARG
SCHEMBL10974843 0.82 IDO1 (0.48) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL5254412 0.82 CYP4F2 (0.49) IDO1CYP1A2CYP2D6CYP2C19THPO
SCHEMBL10332840 0.80 MAPT (0.66) CYP1A2SMN1; SMN2HDAC6MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B IDO1 3988/4885CYP1A2 2737/4885CYP2D6 2484/4885

“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.