SCHEMBL102455

SCHEMBL102455

NC(=NO)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
GRIN2B Q13224 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
PKM P14618 1/20 0.51
KDM1A O60341 8/20 0.51
CTSL P07711 3/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CTSB P07858 1/20 0.42

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
SCHEMBL102454 1.00 PARP1 (0.59) PARP1GRIN2BCES2CES1PKM
SCHEMBL28526334 0.85 PARP1 (0.45) PARP1GRIN2BCES2CES1PKM
SCHEMBL28526332 0.85 PARP1 (0.45) PARP1GRIN2BCES2CES1PKM
SCHEMBL22044393 0.80 PKM (0.61) PARP1GRIN2BCES2CES1PKM
Hydrochloric Acid SCHEMBL9828825 0.80 PARP1 (0.55) PARP1GRIN2BCES2CES1PKM
SCHEMBL14153055 0.80 TAAR1 (0.55) PARP1GRIN2BPKMKDM1AMEN1
SCHEMBL2011191 0.78 CES2 (0.56) PARP1GRIN2BCES2CES1PKM
SCHEMBL641873 0.78 CES2 (0.44) PARP1CES2CES1PKMKDM1A
SCHEMBL641872 0.78 CES2 (0.44) PARP1CES2CES1PKMKDM1A
SCHEMBL24022744 0.77 PARP1 (0.52) PARP1GRIN2BCES2CES1PKM

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291183-B1 OXADIAZOLYL DIHYDROPYRANO[2,3-B]PYRIDINE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS ICAHN SCHOOL MED MOUNT SINAI (US) 2026-04-08 EP disclosed
US-12583849-B2 KCNT1 inhibitors and methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2026-03-24 US disclosed
EP-4692069-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2026-02-11 EP disclosed
EP-4110317-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2025-11-19 EP disclosed
CN-115697979-B Substituted aminothiazoles as DGKZETA inhibitors for immune activation 拜耳公司 2025-06-24 CN disclosed
US-12325702-B2 ATF6 inhibitors and uses thereof ALTOS LABS, INC. (US) 2025-06-10 US disclosed
US-20250179084-A1 OXADIAZOLYL DIHYDROPYRANO[2,3-b]PYRIDINE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2025-06-05 US disclosed
US-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ALTOS LABS, INC. 2024-04-18 US disclosed
CN-117479934-A HIPK2 inhibitors for the treatment of renal fibrosis 西奈山伊坎医学院 2024-01-30 CN disclosed
EP-4291183-A1 OXADIAZOLYL DIHYDROPYRANO[2,3-B]PYRIDINE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS Icahn School of Medicine at Mount Sinai (US) 2023-12-20 EP disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 EP disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 WO disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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 (8 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-12583849-B2 KCNT1 inhibitors and methods of use KCNT1, SCN1A, KCNT2 PARP1 4032/4885GRIN2B 311/4885CES2 831/4885
US-20240124434-A1 ATF6 INHIBITORS AND USES THEREOF ATF4, XBP1, ATF1 PARP1 2879/4885GRIN2B 3834/4885CES2 2791/4885
US-12325702-B2 ATF6 inhibitors and uses thereof ATF4, XBP1, ATF1 PARP1 2879/4885GRIN2B 3834/4885CES2 2791/4885
US-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP PARP1 3890/4885GRIN2B 4447/4885CES2 379/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP PARP1 3890/4885GRIN2B 4447/4885CES2 379/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP PARP1 3890/4885GRIN2B 4447/4885CES2 379/4885
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E PARP1 2190/4885GRIN2B 29/4885CES2 2499/4885
US-20250179084-A1 OXADIAZOLYL DIHYDROPYRANO[2,3-b]PYRIDINE INHIBITORS OF HIPK2 FOR TREATING KIDNEY FIBROSIS HIPK2, HIPK3, HIPK1 PARP1 1569/4885GRIN2B 1852/4885CES2 4857/4885

“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.