SCHEMBL3399131

SCHEMBL3399131

O=C(O)c1ccc(N=C=S)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
PDE4A P27815 1/20 0.50
BLVRB P30043 1/20 0.50
KDR P35968 1/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.50
TSHR P16473 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 4/20 0.47

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
SCHEMBL3395948 0.86 MEN1 (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL9064961 0.85 MEN1 (0.48) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL1624756 0.83 MEN1 (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL26730466 0.83 MEN1 (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3385330 0.83 MEN1 (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL20132516 0.81 KDM4E (0.44) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL10930328 0.81 MEN1 (0.68) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL15391204 0.81 HSD17B10 (0.41) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3396994 0.81 TSHR (0.52) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6632160 0.79 MAPT (0.57) ALDH1A1HSD17B10HPGDKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276953-A1 SMALL MOLECULE SIRTUIN INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-09-04 US disclosed
CN-101965331-B Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
US-8367857-B2 Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
CN-101965331-A Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2011-02-02 CN disclosed
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
EP-2248800-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP Nissan Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 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 (2 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-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP CBS, CTH, TST ALDH1A1 820/4885HSD17B10 1193/4885HPGD 2416/4885
US-20250276953-A1 SMALL MOLECULE SIRTUIN INHIBITORS AND USES THEREOF SIRT6, SIRT2, SIRT1 ALDH1A1 2313/4885HSD17B10 857/4885HPGD 1116/4885

“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.