SCHEMBL40549

SCHEMBL40549

Nc1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 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
L3MBTL1 Q9Y468 4/20 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
SCHEMBL29449219 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL11772004 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL5362613 0.83 CA1 (0.39) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29430899 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL780388 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL5846633 0.79 CA12 (0.37) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL7102669 0.79 SMN1; SMN2 (0.44) KDM4EHSD17B10TSHRMAPK1CA12
SCHEMBL378246 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL161784 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29505675 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100434-A1 HALOGEN CONTAINING EPOXY COMPOSITIONS AND THEIR PREPARATION UNIVERSITY OF NORTH TEXAS (US) 2005-10-27 WO claimed
US-20050228080-A1 Halogen containing epoxy compositions and their preparation UNIVERSITY OF NORTH TEXAS (US) 2005-10-13 US claimed
WO-2025229495-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-06 WO disclosed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
EP-4540240-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME Monte Rosa Therapeutics AG (CH) 2025-04-23 EP disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
US-20250084094-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2025-03-13 US disclosed
US-20240360118-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2024-10-31 US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
EP-4374877-A2 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
WO-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 WO disclosed
EP-0295117-A1 Derivatives of N-phenylpyrazoles RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-12-14 EP disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
US-4459150-A 5-Acylamino-4-cyano-1-phenylpyrazole derivatives and use as herbicides MAY & BAKER LIMITED (GB) 1984-07-10 US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-3995042-A MUSCLE RELAXANTS, CENTRAL NERVOUS SYSTEM STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed
US-3957799-A STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US disclosed
US-3946025-A MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-03-23 US disclosed
US-3932662-A ANTHELMINTICS, PYRUVOYL CHLORIDE PHENYLHYDRAZONES THE UPJOHN COMPANY (US) 1976-01-13 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 (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-20240360118-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 ALDH1A1 2542/4885KDM4E 1587/4885PKM 380/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KDM4E 485/4885PKM 2742/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 ALDH1A1 1388/4885KDM4E 394/4885PKM 1013/4885
US-20250084094-A1 SPIROCYCLIC INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, FMNL1 ALDH1A1 2430/4885KDM4E 4825/4885PKM 2097/4885

“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.