SCHEMBL16093815

SCHEMBL16093815

CCCn1c2ccc(C(C)=O)cc2c2c(C(N)=O)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.54
▸ HPGD P15428 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CNR2 P34972 5/20 0.46
▸ RORC P51449 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ GMNN O75496 1/20 0.40

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
SCHEMBL17461821 0.91 NPC1 (0.52) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16099272 0.89 HPGD (0.60) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16120079 0.88 NPC1 (0.45) NPC1HPGDALDH1A1CNR2CNR1
SCHEMBL16098858 0.86 HPGD (0.50) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16098831 0.85 NPC1 (0.67) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16099112 0.84 HPGD (0.55) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16104959 0.83 HPGD (0.54) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16093823 0.81 HPGD (0.52) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL15848966 0.80 HPGD (0.67) NPC1HPGDALDH1A1MAPTLMNA
SCHEMBL16120023 0.80 NPC1 (0.62) NPC1HPGDALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — US disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT NPC1 2157/4885HPGD 166/4885ALDH1A1 371/4885

“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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