SCHEMBL17461841

SCHEMBL17461841

C=C(C)c1ccc2c(c1)c1cc(N)ccc1n2CCC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HBB P68871 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ CNR2 P34972 8/20 0.43
▸ RORC P51449 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL16099559 0.86 HPGD (0.57) HPGDKDM4EHTTMAPTLMNA
SCHEMBL29411029 0.84 KDM4E (0.61) HPGDKDM4EHTTMAPTLMNA
SCHEMBL28326868 0.84 KDM4E (0.61) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461866 0.84 NPC1 (0.64) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461833 0.80 NPC1 (0.59) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461825 0.80 HPGD (0.53) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461839 0.80 HPGD (0.53) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461867 0.78 HPGD (0.51) HPGDKDM4EHTTMAPTLMNA
SCHEMBL17461844 0.78 NPSR1 (0.56) HPGDKDM4EHTTMAPTLMNA
SCHEMBL13264839 0.77 KDM4E (0.53) HPGDKDM4EHTTMAPTLMNA

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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT HPGD 166/4885KDM4E 1549/4885HTT 3094/4885

“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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