SCHEMBL1507602

SCHEMBL1507602

CC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 8/20 0.56
HSP90AA1 P07900 3/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
S1PR2 O95136 1/20 0.56
OPRK1 P41145 1/20 0.56
ACHE P22303 1/20 0.53
FFAR1 O14842 1/20 0.51
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL29433452 1.00 TSHR (0.57) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL28728423 0.88 TSHR (0.67) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL8713178 0.85 TSHR (0.61) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL9124019 0.83 ALDH1A1 (0.67) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL13622489 0.82 ALDH1A1 (0.70) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL1459762 0.82 ALDH1A1 (0.54) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL10729521 0.81 TSHR (0.57) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL3874391 0.81 ALDH1A1 (0.60) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL23252184 0.81 ALDH1A1 (0.52) TSHRLMNAALDH1A1HSP90AA1HTT
SCHEMBL3881384 0.81 ALDH1A1 (0.52) TSHRLMNAALDH1A1HSP90AA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF EPIVARIO, INC. 2025-06-12 US disclosed
US-12133852-B2 ACSS2 inhibitors and methods of use thereof EPIVARIO, INC. (US) 2024-11-05 US disclosed
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2022-09-29 US disclosed
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 EP disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 CN disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
WO-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 US disclosed
US-9580395-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2017-02-28 US disclosed
US-9580395-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2017-02-28 US disclosed
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof WYETH (US) 2007-09-20 US disclosed
US-7241790-B2 Compounds active in spinigosine 1-phosphate signaling UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-07-10 US disclosed
US-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 US disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 WO disclosed
US-4219679-A HIGH CONVERSION GULF RESEARCH & DEVELOPMENT COMPANY (US) 1980-08-26 US disclosed
US-4139561-A RUTHENIUM HYDROGENATION CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1979-02-13 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 (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-20070088002-A1 Orally available sphingosine 1-phosphate receptor agonists and antagonists S1PR3, S1PR1, S1PR5 TSHR 232/4885LMNA 2126/4885ALDH1A1 4436/4885
US-20250186433-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 TSHR 3842/4885LMNA 3876/4885ALDH1A1 238/4885
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 TSHR 3138/4885LMNA 1741/4885ALDH1A1 761/4885
US-20220305010-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, GLS2, ADSS2 TSHR 3842/4885LMNA 3876/4885ALDH1A1 238/4885
US-12133852-B2 ACSS2 inhibitors and methods of use thereof ACSS2, GLS2, ADSS2 TSHR 3842/4885LMNA 3876/4885ALDH1A1 238/4885
US-20070219183-A1 Dihydropyrazolo[1,5-A]pyrimidine and dihydroimidazo[1,5-A]pyrimidine derivatives and methods of use thereof DPYD, DUT, TYMP TSHR 4614/4885LMNA 2561/4885ALDH1A1 115/4885

“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.