SCHEMBL24967801

SCHEMBL24967801

CC(C)(C)c1cnc2cc(CF)nn2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.34
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL24966569 0.86 LMNA (0.38) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL21789412 0.79 NPC1 (0.39) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL18806118 0.78 NPC1 (0.39) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL19678264 0.77 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL23502135 0.74 NPC1 (0.35) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL25097588 0.71 KDM4E (0.56) RAB9ASMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL23613496 0.71 BRAF (0.36) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL25097587 0.68 RAB9A (0.46) NPC1RAB9AKDM4E
SCHEMBL15118907 0.65 TSHR (0.34) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL6370713 0.65 DGAT1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI NPC1 477/4885RAB9A 1876/4885SMN1; SMN2 4033/4885

“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.