SCHEMBL1719258

SCHEMBL1719258

CCCCc1nnc(S)s1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GLS O94925 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8046529 0.96 ALDH1A1 (0.58) ALDH1A1TSHRPOLBNPSR1CYP2C9
SCHEMBL8034034 0.94 ALDH1A1 (0.61) ALDH1A1TSHRPOLBNPSR1CYP2C9
SCHEMBL8045337 0.94 ALDH1A1 (0.61) ALDH1A1TSHRPOLBNPSR1CYP2C9
SCHEMBL14557094 0.88 ALDH1A1 (0.50) ALDH1A1POLBNPSR1GLS
SCHEMBL10404416 0.79 ALDH1A1 (0.35) ALDH1A1TSHRPOLBGLSKDM4E
SCHEMBL6406054 0.78 ALDH1A1 (0.69) ALDH1A1TSHRPOLBNPSR1CYP2C9
SCHEMBL2212268 0.78
SCHEMBL5654025 0.77 ALDH1A1 (0.41) ALDH1A1TSHRPOLBNPSR1GLS
SCHEMBL6553986 0.76 ALDH1A1 (0.73) ALDH1A1TSHRPOLBNPSR1CYP2C9
SCHEMBL22368217 0.76 ALDH1A1 (0.73) ALDH1A1TSHRPOLBNPSR1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US claimed
US-20130273024-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2013-10-17 US disclosed
US-8426358-B2 Methods for treating atherosclerosis AMGEN INC. (US) 2013-04-23 US disclosed
EP-2452683-A2 Methods for treating atherosclerosis Amgen Inc. (US) 2012-05-16 EP disclosed
EP-2037928-B1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2012-01-11 EP disclosed
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC. (US) 2011-08-25 US disclosed
EP-2037928-A2 METHODS FOR TREATING ATHEROSCLEROSIS Amgen Inc. (US) 2009-03-25 EP disclosed
US-20080096900-A1 Methods for treating atherosclerosis AMGEN INC. (US) 2008-04-24 US disclosed
WO-2008002591-A2 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC (US) 2008-01-03 WO disclosed
US-4245033-A AN ORGANIC SILVER SALT, A HALIDE AND A SULFUR COMPOUND EXPOSED TO FORM A SILVER IMAGE OF HIGH CONTRAST AND STABILITY CANON KABUSHIKI KAISHA (JP) 1981-01-13 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 US disclosed
US-3962232-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US 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 (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-20130273024-A1 METHODS FOR TREATING ATHEROSCLEROSIS LCAT, PCSK9, CETP ALDH1A1 2876/4885TSHR 2835/4885POLB 2704/4885
US-20080096900-A1 Methods for treating atherosclerosis LCAT, PCSK9, CETP ALDH1A1 2876/4885TSHR 2835/4885POLB 2704/4885
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS LCAT, PCSK9, CETP ALDH1A1 2876/4885TSHR 2835/4885POLB 2704/4885

“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.