Sugi Predict

Sugi Predict / Compounds / SCHEMBL1713201

SCHEMBL1713201

SCHEMBL1713201

C[C@@H]([C]=O)Nc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 4/20 0.41

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
SCHEMBL1713200 1.00 RAB9A (0.47) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL6904472 1.00 RAB9A (0.47) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL9359370 0.79 TDP1 (0.54) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL7213152 0.77 TDP1 (0.56) GAAALDH1A1CYP3A4HSD17B10HIF1A
SCHEMBL946382 0.77 TDP1 (0.56) GAAALDH1A1CYP3A4HSD17B10HIF1A
SCHEMBL8943046 0.76 KDM4E (0.50) RAB9ASMN1; SMN2ALDH1A1HSD17B10CYP1A2
SCHEMBL8943054 0.76 KDM4E (0.50) RAB9ASMN1; SMN2ALDH1A1HSD17B10CYP1A2
SCHEMBL10401390 0.76 UGT2B7 (0.52) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL25664541 0.75 RAB9A (0.47) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4
SCHEMBL43518 0.74 RAB9A (0.54) RAB9ASMN1; SMN2GAAALDH1A1CYP3A4

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694348-A4 INHIBITION OF VOLUNTARY ETHANOL CONSUMPTION WITH SELECTIVE MELANOCORTIN 4-RECEPTOR AGONISTS MERCK & CO INC (US) 2009-07-01 — — EP claimed
US-20070155660-A1 Inhibition of voluntary ethanol consumption with selective melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-07-05 — — US claimed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US claimed
EP-1694348-A1 INHIBITION OF VOLUNTARY ETHANOL CONSUMPTION WITH SELECTIVE MELANOCORTIN 4-RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-08-30 — — EP claimed
US-6960646-B2 Cyclic peptides as potent and selective melanocortin-4 receptors agonists MERCK & CO., INC. (US) 2005-11-01 — — US claimed
WO-2005060985-A1 INHIBITION OF VOLUNTARY ETHANOL CONSUMPTION WITH SELECTIVE MELANOCORTIN 4-RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-07-07 — — WO claimed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 — — US claimed
US-20040171793-A1 Cyclic peptides as potent and selective melanocortin-4 receptors agonists MERCK & CO., INC. 2004-09-02 — — US claimed
EP-1409521-A2 CYCLIC PEPTIDES AS POTENT AND SELECTIVE MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-04-21 — — EP claimed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 — — EP claimed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 — — WO claimed
EP-0400065-A4 LHRH ANALOGS — 1991-03-13 — — EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 — — EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 — — EP claimed
US-4906613-A Antiglaucoma compositions and methods SCHERING CORPORATION (US) 1990-03-06 — — US claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 — — US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 — — EP claimed
EP-0145258-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH AGONISTS, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1987-04-15 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070155660-A1 Inhibition of voluntary ethanol consumption with selective melanocortin 4-receptor agonists MC5R, MC4R, MC3R RAB9A 2237/4885SMN1; SMN2 4211/4885GAA 3249/4885
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 RAB9A 789/4885SMN1; SMN2 2767/4885GAA 1382/4885
US-20040171793-A1 Cyclic peptides as potent and selective melanocortin-4 receptors agonists MC4R, MC1R, MC3R RAB9A 2196/4885SMN1; SMN2 3370/4885GAA 4577/4885

“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.