SCHEMBL3735703

SCHEMBL3735703

NC(=O)CSc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 4/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.46
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL23095604 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL147071 0.81 FFAR1 (0.65) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL11442961 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL7016205 0.80 LMNA (0.47) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL19604046 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL13113137 0.79 PKM (0.51) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL3735701 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL7421131 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
Hydrochloric Acid SCHEMBL1376065 0.79 FFAR1 (0.63) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL15563329 0.79 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525057-B1 ANTIMICROBIAL QUINOLONYL LACTAMS PROCTER & GAMBLE PHARMA (US) 2000-06-14 EP claimed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
WO-2008140214-A1 USE OF AMINOTHIOPHENE DERIVATIVE FOR PREVENTING OR TREATING ISCHEMIC DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-4891427-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed
EP-0051234-B1 A PROCESS FOR THE PRODUCTION OF A 2-AZETIDINONE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-03-13 EP disclosed
EP-0051234-A1 A process for the production of a 2-azetidinone derivative ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-05-12 EP 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 (4 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 SMN1; SMN2 3467/4885ALDH1A1 1605/4885CA12 3056/4885
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 SMN1; SMN2 1609/4885ALDH1A1 1549/4885CA12 4408/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 SMN1; SMN2 3467/4885ALDH1A1 1605/4885CA12 3056/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 SMN1; SMN2 3554/4885ALDH1A1 2549/4885CA12 3531/4885

“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.