SCHEMBL5059050

SCHEMBL5059050

CCOC(=O)c1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 2/20 0.54
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
GRM6 O15303 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4503741 0.86 CYP4F2 (0.60) TSHRBAZ2BBAZ2AALDH1A1SMN1; SMN2
SCHEMBL14252251 0.86 TSHR (0.65) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL11234256 0.85 DHODH (0.50) RAB9ACYP1A2ALDH1A1MAPT
SCHEMBL4911989 0.85 TSHR (0.51) TSHRCYP1A2BAZ2BBAZ2AALDH1A1
SCHEMBL12991540 0.84 TSHR (0.58) TSHRRAB9ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL6110541 0.83 TSHR (0.56) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6110544 0.83 TSHR (0.61) TSHRRAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL3303798 0.83 CA12 (0.64) TSHRRAB9ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4272856 0.83 ERCC5 (0.53) RAB9ACYP1A2TDP1
SCHEMBL6502082 0.83 PDK2 (0.57) ALDH1A1SMN1; SMN2HPGDMAPTGAA

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 14 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
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN 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-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
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN 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
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN 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 (2 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 TSHR 191/4885RAB9A 1563/4885CYP1A2 732/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TSHR 180/4885RAB9A 1825/4885CYP1A2 2737/4885

“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.