SCHEMBL21165019

SCHEMBL21165019

CCCC(=O)Nc1cc(C(=O)Nc2cc(C)n(C)c2)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.47
▸ F2R P25116 9/20 0.45
▸ HRAS P01112 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12894978 0.88 TOP1 (0.48) TOP1F2RHRASESR1ESR2
SCHEMBL24388700 0.85 TOP1 (0.49) TOP1F2RHRASESR1ESR2
SCHEMBL13117928 0.82 TOP1 (0.57) TOP1F2RHRASESR1ESR2
SCHEMBL7786957 0.80 ALDH1A1 (0.47) TOP1F2RHRASESR1ESR2
SCHEMBL7786959 0.80 TP53 (0.46) TOP1F2RHRASESR1ESR2
SCHEMBL6205160 0.78 TP53 (0.44) TOP1F2RMAPTKDM4EALDH1A1
SCHEMBL31614481 0.77 TOP1 (0.57) TOP1HRASESR1ESR2MAPT
SCHEMBL23626915 0.75 HRAS (0.46) TOP1HRASESR1ESR2MAPT
SCHEMBL6177782 0.74 TOP1 (0.41) TOP1F2RHRASESR1ESR2
SCHEMBL6181086 0.74 TOP1 (0.41) TOP1F2RHRASESR1ESR2

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-10350300-B2 Alkylating agent for alkylating target with driver oncogene mutation CHIBA PREFECTURE (JP) 2019-07-16 — — 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-10350300-B2 Alkylating agent for alkylating target with driver oncogene mutation KRAS, TP53, MYC TOP1 968/4885F2R 4795/4885HRAS 31/4885

“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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