SCHEMBL14090346

SCHEMBL14090346

CN1CCN(c2ccc3nc(-c4ccc(O)c(O)c4O)[nH]c3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ TOP1 P11387 2/20 0.64
▸ TOP2A P11388 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ AMY1A P0DUB6 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ FGFR1 P11362 3/20 0.54
▸ FLT1 P17948 2/20 0.54
▸ TERT O14746 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL14090369 0.84 FGFR1 (0.61) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090310 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090318 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090247 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090304 0.81 F2 (0.59) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090215 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090297 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090206 0.79 BRD4 (0.60) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14090265 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14091207 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ALDH1A1 2293/4885SMN1; SMN2 3752/4885TOP1 1617/4885

“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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