SCHEMBL8106039

SCHEMBL8106039

IC1(c2ccccc2)C=CC=CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL2283117 0.74 HDAC4 (0.34) HDAC4MEN1CYP2C9KMT2AOPRM1
SCHEMBL27449113 0.72 HDAC4 (0.33) HDAC4MEN1KMT2AOPRM1OPRK1
SCHEMBL8039521 0.72 PNMT (0.39) OPRM1
SCHEMBL5665863 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL16163009 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL276639 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL3357684 0.71 HDAC4 (0.36) HDAC4OPRM1OPRK1OPRL1
SCHEMBL9629458 0.71 HDAC4 (0.36) HDAC4MEN1KMT2AOPRM1OPRK1
SCHEMBL5715764 0.71 MAOB (0.38) HDAC4OPRM1OPRK1OPRL1
SCHEMBL4089733 0.71 HDAC4 (0.36) HDAC4OPRM1OPRK1OPRL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377634-B1 PROCESS FOR THE PREPARATION OF ARYL SULFIDES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-02 EP claimed
US-20230000982-A1 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2023-01-05 US disclosed
CN-114728909-A Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient 韩国原子力医学院 2022-07-08 CN disclosed
EP-4015506-A2 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT Korea Institute of Radiological & Medical Sciences (KR) 2022-06-22 EP disclosed
WO-2021060888-A2 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국원자력의학원 2021-04-01 WO disclosed
EP-2332931-B1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEMICAL LTD (KR) 2015-04-22 EP disclosed
US-6103743-A Unsaturated amino acid derivatives ALLELIX NEUROSCIENCE, INC. (US) 2000-08-15 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 (1 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-20230000982-A1 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT CASP3, API5, HDAC1 HDAC4 38/4885MEN1 4327/4885CYP2C9 2906/4885

“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.