SCHEMBL7477457

SCHEMBL7477457

CCOC(=O)c1cccc2c1nc(C)n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 5/20 0.46
CDC25B P30305 2/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 4/20 0.43
HPGD P15428 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7477385 0.85 PARP1 (0.49) TSHRCYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL7485367 0.84 TSHR (0.50) TSHRCYP1A2KDM4ECDC25BALDH1A1
SCHEMBL7479778 0.84 TSHR (0.46) TSHRCYP1A2KDM4ECDC25BALDH1A1
SCHEMBL6922941 0.80 PARP1 (0.46) CYP1A2KDM4EALDH1A1HSD17B10PARP1
SCHEMBL7259069 0.80 ALDH1A1 (0.53) TSHRCYP1A2KDM4ECDC25BALDH1A1
SCHEMBL10149692 0.79 PARP1 (0.61) CYP1A2PARP1CYP3A4CYP2D6CYP2C9
SCHEMBL7479209 0.77 MEN1 (0.44) TSHRCYP1A2KDM4ECDC25BALDH1A1
SCHEMBL12226875 0.77 TSHR (0.51) TSHRCYP1A2KDM4ECDC25BALDH1A1
SCHEMBL7259179 0.76 ALDH1A1 (0.47) TSHRALDH1A1PARP1NPC1RAB9A
SCHEMBL3784898 0.76 KDM4E (0.48) TSHRCYP1A2KDM4ECDC25BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 US disclosed
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 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-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT TSHR 2193/4885CYP1A2 1684/4885KDM4E 653/4885

“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.