SCHEMBL2880841

SCHEMBL2880841

NC(=S)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.64
LTA4H P09960 3/20 0.52
TSHR P16473 1/20 0.52
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
MAOA P21397 1/20 0.52
SRD5A2 P31213 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PARP15 Q460N3 3/20 0.50
F2 P00734 2/20 0.50
PARP14 Q460N5 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP16 Q8N5Y8 1/20 0.50
PARP11 Q9NR21 1/20 0.50
PARP4 Q9UKK3 1/20 0.50
F10 P00742 1/20 0.50
FURIN P09958 1/20 0.50
PLAU P00749 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50

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
SCHEMBL28949676 0.82 LTA4H (0.57) PARP10LTA4HTSHRNR1H2BAX
SCHEMBL19608231 0.82 AKR1C3 (0.61) PARP10LTA4HTSHRPARP15F2
SCHEMBL12127490 0.81 MAOA (0.54) PARP10MAOASMN1; SMN2PARP15F2
SCHEMBL9055509 0.78 PARP10 (0.53) PARP10LTA4HTSHRNR1H2BAX
SCHEMBL3085721 0.78 F2 (0.83) PARP10F2KMT2AF10FURIN
Terephthalamide SCHEMBL4205368 0.78 PARP10 (1.00) PARP10TSHRSRD5A2SMN1; SMN2PARP15
SCHEMBL606429 0.78 PARP10 (1.00) PARP10TSHRSRD5A2SMN1; SMN2PARP15
Benzene SCHEMBL20971577 0.78 BLM (0.52) TSHRSMN1; SMN2F2ALDH1A1KMT2A
SCHEMBL67048 0.78
SCHEMBL27970286 0.78 BLM (0.52) TSHRSMN1; SMN2F2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
EP-3124489-A1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS Fibrogen, Inc. (US) 2017-02-01 EP disclosed
EP-2016078-B1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2016-06-15 EP disclosed
US-7696223-B2 [(2-bromo-4-hydroxy-1-phenyl-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)-amino]-acetic acid; modulates the stability and/or activity of hypoxia inducible factor (HIF) FIBROGEN, INC. (US) 2010-04-13 US disclosed
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
US-20080004309-A1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. 2008-01-03 US disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 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 (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-20080004309-A1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 PARP10 2097/4885LTA4H 3221/4885TSHR 1319/4885

“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.