SCHEMBL5586033

SCHEMBL5586033

NC(=O)c1ccc2c(c1)ONC=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
LCK P06239 1/20 0.36
PARP1 P09874 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHEK2 O96017 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
PARP15 Q460N3 2/20 0.33
PARP14 Q460N5 2/20 0.33
PARP10 Q53GL7 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL18770551 0.88 MKNK1 (0.41) TSHRCHEK2
SCHEMBL9995986 0.87 TSHR (0.45) TSHRLCKPARP1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL31750318 0.85 TSHR (0.44) TSHRLCKPARP1SMN1; SMN2NPC1
SCHEMBL19207340 0.85 ALDH1A1 (0.43) TSHRALDH1A1KDM4EHSD17B10
Urea SCHEMBL28100950 0.74 TSHR (0.35) TSHRPARP1HTR2CALDH1A1KDM4E
SCHEMBL17476748 0.72 LCK (0.40) TSHRLCKPARP1SMN1; SMN2PARP15
SCHEMBL3712689 0.71 ALOX5 (0.44) TSHRRAB9AALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4766162 0.70 LCK (0.39) TSHRLCKPARP1SMN1; SMN2PARP15
Water SCHEMBL9085223 0.70 ALOX5 (0.43) TSHRRAB9AALDH1A1KDM4EHSD17B10
SCHEMBL6649922 0.70 STS (0.54) TSHRLCKPARP1SMN1; SMN2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307382-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-09-19 US disclosed
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 US disclosed
US-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-07 US disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 US disclosed
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 US disclosed
EP-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 EP disclosed
US-20190135772-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2019-05-09 US disclosed
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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 (6 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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 TSHR 2983/4885LCK 2122/4885PARP1 2920/4885
US-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 TSHR 3921/4885LCK 2475/4885PARP1 1323/4885
US-20240307382-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 3921/4885LCK 2475/4885PARP1 1323/4885
US-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 3921/4885LCK 2475/4885PARP1 1323/4885
US-20190135772-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 3921/4885LCK 2475/4885PARP1 1323/4885
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 TSHR 3921/4885LCK 2475/4885PARP1 1323/4885

“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.