SCHEMBL330442

SCHEMBL330442

Cc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
PKM P14618 1/20 0.50
CASP1 P29466 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CFTR P13569 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL378246 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PKMHPGD
SCHEMBL107871 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL27957517 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL29409551 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL29581540 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL12708541 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1PKMCASP1
Hydrochloric Acid SCHEMBL6062984 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1PKMHPGD
Hydrochloric Acid SCHEMBL8642202 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL10013562 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1PKMCASP1
SCHEMBL1755260 0.80 PDE2A (0.46) ALDH1A1MAPTTSHRMAPK1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104592425-A Cycloheptatriene-base rare-earth metal catalyst, and preparation method and application thereof BEIJING INST TECHNOLOGY 2015-05-06 CN claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
CN-102491906-A Synthetic method for 2-methyl-3-trifluoromethyl phenylamine QILU ANIMAL HEALTH PRODUCTS CO 2012-06-13 CN claimed
CN-102442944-A Preparation method of flunixin QILU ANIMAL HEALTH CARE PRODUCTS CO LTD 2012-05-09 CN claimed
JP-2045451-A None JP disclosed
JP-63270631-A None JP disclosed
JP-63270632-A None JP disclosed
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
CN-111699176-B Quinazolinones as PARP14 inhibitors 里邦医疗公司 2025-02-14 CN disclosed
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-08-08 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
CN-1030577-A Disinsection method with 2-phenylimidazole derivative MAY & BAKER CO LTD (GB) 1989-01-25 CN disclosed
JP-S63270632-A NOVEL DICHLOROTRIFLUOROMETHYLTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
JP-S63270631-A NOVEL DICHLOROTRICHLOROMETHYLTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 US disclosed
US-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 US disclosed
US-3960890-A CONTROL OF ECTOPARASITES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS ALDH1A1 2871/4885KDM4E 3110/4885TDP1 2748/4885
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS ALDH1A1 1875/4885KDM4E 3441/4885TDP1 2924/4885

“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.