SCHEMBL3609840

SCHEMBL3609840

[O]C(=S)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
TAS2R38 P59533 3/20 0.64
HSD17B10 Q99714 3/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 6/20 0.58
TP53 P04637 2/20 0.58
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NOX1 Q9Y5S8 1/20 0.58
TYR P14679 1/20 0.58
EPHX1 P07099 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
EPHX2 P34913 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
PHGDH O43175 1/20 0.56
LMNA P02545 2/20 0.54

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
SCHEMBL3070807 0.83 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL5885020 0.80 ALDH1A1 (0.58) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3070810 0.78 ALDH1A1 (0.56) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL132620 0.78 ALDH1A1 (1.00) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL1936559 0.78 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3073447 0.77 ALDH1A1 (0.70) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL3073451 0.77 ALDH1A1 (0.61) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL9470190 0.76 ALDH1A1 (0.94) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
SCHEMBL54997 0.76 EPHX2 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA
Hydrochloric Acid SCHEMBL11243942 0.76 ALDH1A1 (0.67) ALDH1A1TAS2R38HSD17B10CYP3A4GAA

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-RE37979-E1 Pyrimidine derivatives and anti-viral agent containing the same as active ingredient thereof MITSUBISHI CHEMICAL CORPORATION 2003-02-04 US disclosed
EP-0829476-B1 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof MITSUBISHI CHEM CORP (JP) 2002-08-28 EP disclosed
EP-0829476-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1998-03-18 EP disclosed
US-5461060-A Antiretroviral activity MITSUBISHI KASEI CORPORATION (JP) 1995-10-24 US disclosed
EP-0420763-A2 6-Substituted acyclopyrimidine nucleoside derivatives and antiviral agent containing the same as active ingredient thereof Mitsubishi Chemical Corporation (JP) 1991-04-03 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4248976-A COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND CIBA-GEIGY AG (CH) 1981-02-03 US disclosed
US-4172858-A Flame-resistant polymer compositions CIBA-GEIGY AG (CH) 1979-10-30 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 (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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 ALDH1A1 445/4885TAS2R38 4819/4885HSD17B10 1454/4885

“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.