SCHEMBL29435690

SCHEMBL29435690

Nc1cc(C(F)(F)F)cnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLAU P00749 1/20 0.46
PIK3CD O00329 2/20 0.43
GAA P10253 3/20 0.41
HTT P42858 3/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CFTR P13569 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL756227 1.00 ALDH1A1 (0.50) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL19728987 0.79 PIK3CD (0.43) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL1716472 0.78 ALDH1A1 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL120994 0.78 ALDH1A1 (0.56) ALDH1A1POLBKDM4ESMN1; SMN2PLAU
SCHEMBL30762204 0.78 ALDH1A1 (0.44) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL29414916 0.78 ALDH1A1 (0.56) ALDH1A1POLBKDM4ESMN1; SMN2PLAU
SCHEMBL30144074 0.77 AGBL2 (0.47) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL3038475 0.77 ALDH1A1 (0.43) ALDH1A1POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL30062543 0.77 ALDH1A1 (0.46) ALDH1A1POLBKDM4ESMN1; SMN2PLAU
SCHEMBL31310688 0.77 PIK3CD (0.50) ALDH1A1POLBKDM4ESMN1; SMN2PLAU

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
CN-118955472-A 2- (Hetero) aryl substituted fused heterocyclic derivatives as pesticides 拜耳作物科学股份公司 2024-11-15 CN disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3959207-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2022-03-02 EP 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 ALDH1A1 2760/4885POLB 3774/4885KDM4E 200/4885

“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.