SCHEMBL306135

SCHEMBL306135

Cc1c(C(=O)O)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
AKR1B1 P15121 1/20 0.40
PKM P14618 2/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CDK2 P24941 1/20 0.39
HNF4A P41235 1/20 0.39
MYC P01106 1/20 0.38
NR4A1 P22736 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL27703675 0.88 TSHR (0.49) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3478112 0.87 TSHR (0.59) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8671212 0.87 TSHR (0.59) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL10169776 0.86 KMT2A (0.40) TSHRALDH1A1TDP1AKR1B1KMT2A
SCHEMBL27935928 0.86 KMT2A (0.39) TSHRALDH1A1TDP1AKR1B1KMT2A
SCHEMBL6534956 0.85 VCAM1 (0.46) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8063524 0.85 VCAM1 (0.46) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8668862 0.82 ALDH1A1 (0.50) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL30729473 0.82 ALDH1A1 (0.50) TSHRALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL2381586 0.82 TSHR (0.54) TSHRALDH1A1TDP1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092014-A1 COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE METREA BIOSCIENCES INC (US) 2025-03-20 US disclosed
WO-2022159445-A1 COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE METREA BIOSCIENCES, INC. (US) 2022-07-28 WO disclosed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3298003-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-03-28 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
WO-2016185279-A1 BENZOIMIDAZOLE DERIVATIVES AS PAD4 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-11-24 WO disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 US disclosed
US-9376422-B2 Dihidropyridin-2-one benzamine compounds Epizyme, Inc. (US) 2016-06-28 US disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed
US-5814651-A PHOSPHODIESTERASE TYPE FOUR INHIBITORS PFIZER INC. (US) 1998-09-29 US disclosed
EP-0672031-A1 CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS PFIZER INC. (US) 1995-09-20 EP disclosed
WO-1994012461-A1 CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS PFIZER INC. (US) 1994-06-09 WO disclosed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 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 (3 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-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 TSHR 423/4885ALDH1A1 2335/4885CYP1A2 923/4885
US-20250092014-A1 COMPOUNDS AND METHODS OF ACTIVATING LIPOPROTEIN LIPASE LPL, LIPA, PNLIP TSHR 1493/4885ALDH1A1 1201/4885CYP1A2 973/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TSHR 4736/4885ALDH1A1 358/4885CYP1A2 59/4885

“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.