SCHEMBL6494902

SCHEMBL6494902

Nc1ccc(-c2nc3ccc(N)c(Cl)c3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.59
▸ MAPT P10636 10/20 0.59
▸ ALDH1A1 P00352 10/20 0.59
▸ MEN1 O00255 9/20 0.59
▸ KMT2A Q03164 9/20 0.59
▸ NPC1 O15118 9/20 0.59
▸ HPGD P15428 9/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ GAA P10253 7/20 0.59
▸ TP53 P04637 6/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ GLA P06280 4/20 0.59
▸ CACNA1B Q00975 3/20 0.59
▸ APBA1 Q02410 3/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL6493950 0.84 ALDH1A1 (0.63) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL11443276 0.81 RPS6KA3 (0.59) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL21776984 0.77 ALDH1A1 (0.57) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6439292 0.77 ALDH1A1 (0.60) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6492052 0.74 ALDH1A1 (0.59) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6333668 0.74 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6494910 0.74 MEN1 (1.00) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7486677 0.73 MEN1 (0.53) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL31198946 0.73 MEN1 (0.57) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL29157472 0.72 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein BF RESEARCH INSTITUTE (JP) 2005-11-24 — — 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-20050260126-A1 Diagnostic probes and remedies for diseases with accumulation of prion protein, and stains for prion protein PRNP, PRPH, PCNP SMN1; SMN2 214/4885MAPT 7/4885ALDH1A1 1577/4885

“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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