SCHEMBL30842286

SCHEMBL30842286

NCCNc1cccc2cccc(-c3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ KAT2B Q92831 4/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL30842291 0.81 CA12 (0.56) CA12CA3CA4CA6CA5A
SCHEMBL21857984 0.76 CA9 (0.42) CA12CA3CA4CA6CA5A
SCHEMBL10696913 0.72 POLB (0.50) ALDH1A1TSHRHSD17B10MAPTMEN1
SCHEMBL9771587 0.71 KAT2B (0.63) CA12CA3CA4CA6CA5A
Hydrochloric Acid SCHEMBL9771636 0.70 KAT2B (0.66) CA12CA3CA4CA6CA5A
SCHEMBL5355772 0.69 MAPT (0.61) ALDH1A1RECQLHSD17B10MAPTMEN1
SCHEMBL29211172 0.68 MYC (0.49) CA12CA9CA14ALDH1A1MAPT
Hydrochloric Acid SCHEMBL515052 0.68 MAPT (0.59) ALDH1A1RECQLHSD17B10MAPTMEN1
Hydrochloric Acid SCHEMBL28432645 0.68 MAPT (0.59) ALDH1A1RECQLHSD17B10MAPTMEN1
Nitric Acid SCHEMBL27877120 0.67 CA12 (0.76) CA12CA3CA4CA6CA5A

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-11952328-B2 Selective ship inhibitors for treating disease THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-09 — — 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-11952328-B2 Selective ship inhibitors for treating disease PPM1A, MTMR1, PPM1B CA12 4812/4885CA3 4859/4885CA4 4804/4885

“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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