SCHEMBL20371573

SCHEMBL20371573

CCn1c(C)c(CC(=O)N2CC(OC)C2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G2A P14555 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR3A P46098 2/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PER2 O15055 1/20 0.39
▸ CRY1 Q16526 1/20 0.39
▸ CRY2 Q49AN0 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR3E A5X5Y0 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
SCHEMBL14484915 0.89 ALDH1A1 (0.47) KDM4EALDH1A1PLA2G2APTGDR2
SCHEMBL14484572 0.88 KMT2A (0.44) KDM4EALDH1A1HTTLMNAPLA2G2A
SCHEMBL15730125 0.86 KDM4E (0.49) KDM4EALDH1A1HTTLMNAPLA2G2A
SCHEMBL15723844 0.83 KDM4E (0.40) KDM4EALDH1A1HTTLMNAPLA2G2A
SCHEMBL9883461 0.75 KDM4E (0.53) KDM4ERECQLALDH1A1HTTLMNA
SCHEMBL14487344 0.75 KDM4E (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL11681291 0.69 ALDH1A1 (0.53) KDM4EALDH1A1HTTPLA2G2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL27949259 0.68 ALDH1A1 (0.52) KDM4EALDH1A1HTTPLA2G2ASMN1; SMN2
SCHEMBL14297332 0.67 ALDH1A1 (0.64) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8269986 0.66 ALDH1A1 (0.50) KDM4EALDH1A1HTTPLA2G2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — 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 (2 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885RECQL 1517/4885ALDH1A1 649/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN KDM4E 1590/4885RECQL 1517/4885ALDH1A1 649/4885

“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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