SCHEMBL4175596

SCHEMBL4175596

COCc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.58
HCAR3 P49019 11/20 0.58
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
APEX1 P27695 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
SCHEMBL13264670 0.88 CASP6 (0.55) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL29897189 0.88 CASP6 (0.58) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL4299408 0.88 CASP6 (0.58) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL17511817 0.88 HCAR3 (0.58) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL6950169 0.85 CASP6 (0.55) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL16129649 0.85 HCAR3 (0.56) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL20757 0.84 PDK1 (0.68) CASP6TSHRHCAR3LMNAKMT2A
SCHEMBL177446 0.83 HCAR3 (0.53) CASP6TSHRHCAR3LMNA
SCHEMBL14212713 0.82 CASP6 (0.55) CASP6TSHRHCAR3LMNAAPEX1
SCHEMBL6180268 0.81 HCAR3 (0.64) CASP6TSHRHCAR3LMNAAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11622970-B2 BCL-2 inhibitors and their use as pharmaceuticals Prelude Therapeutics Incorporation (US) 2023-04-11 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
WO-2008075070-A1 SULFONAMIDE DERIVATIVES FOR THERAPEUTIC USE AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 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 (4 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 CASP6 1557/4885TSHR 1816/4885HCAR3 532/4885
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 CASP6 36/4885TSHR 3869/4885HCAR3 4362/4885
US-11622970-B2 BCL-2 inhibitors and their use as pharmaceuticals BCL2, BCL2L2, BCL2L1 CASP6 36/4885TSHR 3869/4885HCAR3 4362/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 CASP6 1116/4885TSHR 2036/4885HCAR3 379/4885

“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.