SCHEMBL5914422

SCHEMBL5914422

C[S+]([O-])c1nccc(NCc2cccc(Cl)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.37
▸ CYP3A4 P08684 9/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ APP P05067 1/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ CLK4 Q9HAZ1 7/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ TSHR P16473 2/20 0.34

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
SCHEMBL24240133 0.72 RPS6KA5 (0.30) —
SCHEMBL28006645 0.70 CLK4 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6SMN1; SMN2
SCHEMBL24375911 0.69 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL5913801 0.68 — —
SCHEMBL28157940 0.65 FLT3 (0.37) CYP1A2
SCHEMBL8340318 0.65 KDM4E (0.42) CYP3A4KDM4ETP53HPGDSMN1; SMN2
SCHEMBL24142565 0.65 CYP3A4 (0.40) CYP3A4NPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL28245462 0.63 CYP1A2 (0.33) CYP1A2
SCHEMBL24254425 0.62 CYP3A4 (0.38) CYP1A2CYP3A4CYP2D6KDM4EHPGD
SCHEMBL12651710 0.62 CCR1 (0.36) —

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP CYP1A2 1159/4885CYP3A4 1290/4885CYP2C19 2820/4885

“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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