SCHEMBL5063205

SCHEMBL5063205

O=C(Cl)c1ccc(N2CCCC2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ATM Q13315 1/20 0.54
MAPT P10636 6/20 0.51
ALDH1A1 P00352 2/20 0.51
GFER P55789 1/20 0.51
IP6K1 Q92551 1/20 0.49
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
MMP2 P08253 1/20 0.46
MGLL Q99685 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3119554 0.86 IP6K1 (0.61) AVPR2MEN1KMT2AATMMAPT
SCHEMBL4890072 0.85 PRKDC (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2301042 0.85 IP6K1 (0.59) AVPR2MEN1KMT2AATMMAPT
SCHEMBL3134836 0.84 MEN1 (0.59) AVPR2MEN1KMT2AATMMAPT
SCHEMBL13851496 0.84 MAPT (0.50) AVPR2MEN1KMT2AATMMAPT
SCHEMBL3138426 0.83 MEN1 (0.58) AVPR2MEN1KMT2AATMMAPT
SCHEMBL15923351 0.83 MYC (0.57) AVPR2MEN1KMT2AATMMAPT
SCHEMBL10473156 0.79 AVPR2 (0.50) AVPR2MEN1KMT2AATMMAPT
SCHEMBL5058937 0.76 ALDH1A1 (0.53) MEN1KMT2AATMMAPTALDH1A1
SCHEMBL15123245 0.76 IP6K1 (0.66) MEN1KMT2AMAPTALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
CN-1104419-C Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
CN-1209121-A Benzazepine Derivatives OTSUKA PHARMA CO LTD (JP) 1999-02-24 CN disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 AVPR2 1/4885MEN1 1124/4885KMT2A 3949/4885

“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.