SCHEMBL20079064

SCHEMBL20079064

CC(=O)Nc1nn(C)c2c(C(C)(C)C)ccc(Cl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK14 Q16539 4/20 0.34

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
SCHEMBL19788778 0.88 CDK8 (0.36) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL19788827 0.87 CNR2 (0.35) ALDH1A1KMT2AKDM4EHTTMAPT
SCHEMBL22885167 0.87 MAPT (0.33) ALDH1A1KDM4EMAPTLMNAHSD17B10
SCHEMBL19788828 0.86 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL19788770 0.86 CYP3A4 (0.39) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL19788775 0.86 MAPT (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL19788774 0.86 CASP1 (0.38) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL24997738 0.85 MAPK14 (0.34) ALDH1A1KDM4EMAPTLMNACASP1
SCHEMBL19788893 0.85 MAPK14 (0.34) ALDH1A1KDM4EMAPTLMNACASP1
SCHEMBL19788776 0.85 MAPK14 (0.34) ALDH1A1MEN1KMT2AKDM4EMAPT

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-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 — — US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — 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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 351/4885MEN1 2845/4885KMT2A 4689/4885

“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.

Send feedback