SCHEMBL25735720

SCHEMBL25735720

Cc1nc(-c2ccc(C)c(Cl)c2)ns1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
PPARG P37231 2/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
KMO O15229 2/20 0.39
ALDH1A1 P00352 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP3A4 P08684 1/20 0.37
SNCA P37840 1/20 0.37
ABL1 P00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25736155 0.88 NPC1 (0.49) NPC1RAB9APPARDPPARAPPARG
SCHEMBL4122537 0.80 PPARD (0.48) NPC1RAB9APPARDPPARAPPARG
SCHEMBL4109081 0.80 PPARD (0.51) NPC1RAB9APPARDPPARAPPARG
SCHEMBL28762456 0.79 KMO (0.49) NPC1RAB9APPARDPPARAPPARG
SCHEMBL16202034 0.78 NPC1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL20341648 0.76 CYP19A1 (0.48) MAPTKMT2ATP53ALDH1A1LMNA
SCHEMBL14755496 0.74 TASP1 (0.44) RAB9APPARDPPARAPPARGPKM
SCHEMBL12112411 0.74 ADORA3 (0.44) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4111546 0.73 PPARD (0.46) PPARDPPARAPPARGMAPTTP53
SCHEMBL25735723 0.72 NPC1 (0.40) NPC1RAB9APPARDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 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 (2 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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS NPC1 3771/4885RAB9A 2367/4885PPARD 4190/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 NPC1 4064/4885RAB9A 1669/4885PPARD 3663/4885

“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.