SCHEMBL29656838

SCHEMBL29656838

Fc1cc(F)c(F)c(-c2cccc(C(F)(F)F)c2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ NOTUM Q6P988 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ SCN2A Q99250 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HTR2C P28335 1/20 0.41

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
SCHEMBL17563223 0.88 SLC1A3 (0.50) IKBKBBRD4MAOBMAPTCNR2
SCHEMBL16127491 0.84 IKBKB (0.53) IKBKBBRD4MAOBMAPTCNR2
SCHEMBL31711762 0.81 HSD17B1 (0.33) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16127352 0.79 IKBKB (0.49) IKBKBBRD4MAPTCNR2SLC1A3
SCHEMBL29678302 0.79 TSHR (0.58) MAOBTSHRMAPK1IDO1NOTUM
SCHEMBL1263144 0.79 TSHR (0.58) MAOBTSHRMAPK1IDO1NOTUM
SCHEMBL4934915 0.78 TSHR (0.45) MAOBMAPTTSHRMAPK1IDO1
SCHEMBL16127490 0.78 IDO1 (0.53) IKBKBBRD4MAOBMAPTIDO1
SCHEMBL28248236 0.78 KIF11 (0.46) MAOBAKR1C3AKR1C2TSHRTAAR1
Ammonia Solution, Strong SCHEMBL20472961 0.77 MAOB (0.56) MAOBTSHRMAPK1IDO1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034730-A1 PYRAZOLO DERIVATIVES AS HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS FOR USE AS ANTIVIRALS DRUG DISCOVERY AND CLINIC S.R.L. (IT) 2024-02-01 — — US disclosed
CN-117042775-A Pyrazolo derivatives as inhibitors of human dihydroorotate dehydrogenase (HDHODH) as antiviral agents 药物研发和临床有限责任公司 2023-11-10 — — CN disclosed
EP-4243818-A1 PYRAZOLO DERIVATIVES AS HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS FOR USE AS ANTIVIRALS Drug Discovery and Clinic S.r.l. (IT) 2023-09-20 — — EP disclosed
WO-2022101382-A1 PYRAZOLO DERIVATIVES AS HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS FOR USE AS ANTIVIRALS DRUG DISCOVERY AND CLINIC S.R.L. (IT) 2022-05-19 — — WO 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-20240034730-A1 PYRAZOLO DERIVATIVES AS HUMAN DIHYDROOROTATE DEHYDROGENASE (HDHODH) INHIBITORS FOR USE AS ANTIVIRALS DHODH, DPYD, IMPDH1 IKBKB 1110/4885BRD4 1631/4885MAOB 495/4885

“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.

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