SCHEMBL7797221

SCHEMBL7797221

O=C(c1ncc[nH]1)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 1/20 0.42
HSPA5 P11021 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
FDPS P14324 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
F2RL1 P55085 1/20 0.34
TBXAS1 P24557 1/20 0.33
GLA P06280 1/20 0.32
BRAF P15056 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL6281989 0.83 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL7196095 0.81 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL6666888 0.79 NPC1 (0.49) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL50972 0.78 NPC1 (0.43) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL28882574 0.78 NPC1 (0.47) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL28612372 0.76 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL11599997 0.76 NPC1 (0.46) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL5829402 0.76 NPC1 (0.48) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL2004766 0.75 NPC1 (0.52) NPC1RAB9AKMT2AHSPA5ALDH1A1
SCHEMBL1324 0.75 NPC1 (0.62) NPC1RAB9AKMT2AALDH1A1KDM4E

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-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
EP-0772597-B1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2001-12-12 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-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 NPC1 3141/4885RAB9A 2869/4885KMT2A 2250/4885

“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.