SCHEMBL1063295

SCHEMBL1063295

CCc1ccc(N)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.42
CA2 P00918 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL29923559 1.00 SKP2 (0.42) SKP2CA2NOS3NOS1NOS2
Benzene SCHEMBL27906207 0.96 CYP1A2 (0.42) SKP2CA2NOS3NOS1NOS2
SCHEMBL7442769 0.83 SKP2 (0.53) SKP2CA2CA12CA1CA4
SCHEMBL14899824 0.82 NOS3 (0.42) SKP2CA2NOS3NOS1NOS2
SCHEMBL1300912 0.81 GAA (0.54) SKP2CA2CA12CA1CA4
SCHEMBL841230 0.79 SKP2 (0.70) SKP2CA2CA1RAB9ANPC1
SCHEMBL7747249 0.79 SKP2 (0.64) SKP2NOS3NOS1NOS2TRPA1
SCHEMBL11441801 0.79 LOXL2 (0.44) SKP2CA2CA12CA1CA4
SCHEMBL7444031 0.78 CA12 (0.39) SKP2CA2CA12CA1CA4
SCHEMBL841623 0.78 NOS3 (0.46) SKP2NOS3NOS1NOS2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063333-A Preparation method of 2-hydroxy-4-ethylaniline and hydrochloride thereof 浙江鼎龙科技股份有限公司 2024-05-24 CN claimed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
CN-118063333-A Preparation method of 2-hydroxy-4-ethylaniline and hydrochloride thereof 浙江鼎龙科技股份有限公司 2024-05-24 CN disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 CN disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 CN disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
EP-0023938-B1 PREPARATION OF PYRROLE-2-ACETATES McNeilab, Inc. (US) 1983-07-20 EP disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0023938-A1 Preparation of pyrrole-2-acetates McNeilab, Inc. (US) 1981-02-18 EP disclosed
US-4216150-A Preparation of pyrrole-2-acetates MCNEIL LAB, INC. (US) 1980-08-05 US disclosed
US-4207237-A Preparation of pyrrole-2-acetates MCNEILAB, INC. (US) 1980-06-10 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 (2 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SKP2 1081/4885CA2 661/4885NOS3 2211/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 SKP2 946/4885CA2 2831/4885NOS3 3219/4885

“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.