SCHEMBL29980210

SCHEMBL29980210

O=[N+]([O-])c1ccc(CSc2ccc3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL19810722 1.00 MAPT (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL29177611 0.80 RXFP1 (0.60) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8559230 0.78 MAPT (0.52) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL1061506 0.78 RXFP1 (0.50) MAPTSMN1; SMN2LMNANPC1RAB9A
Ammonia Solution, Strong SCHEMBL28220202 0.77 RXFP1 (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL11189080 0.76 RXFP1 (0.60) MAPTSMN1; SMN2LMNARAB9APOLB
SCHEMBL11058802 0.75 MAPT (0.68) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5655670 0.75 MAPT (0.68) MAPTSMN1; SMN2LMNANPC1RAB9A
Bromide SCHEMBL10347222 0.74 MAPT (0.67) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL9353879 0.74 MAPT (0.71) MAPTSMN1; SMN2LMNANPC1RAB9A

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-11464770-B2 Anticancer pharmaceutical composition KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-10-11 — — 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-11464770-B2 Anticancer pharmaceutical composition MYC, MYCBP, TP53 MAPT 848/4885SMN1; SMN2 2994/4885LMNA 373/4885

“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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