SCHEMBL21130360

SCHEMBL21130360

CC(C)(C)Cc1nc2cc(C(F)(F)F)c(F)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ GRK6 P43250 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HSPD1 P10809 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ HSPE1 P61604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL21130282 0.78 LMNA (0.44) KDM4ELRRK2CYP11B2HSPD1PTPN2
SCHEMBL19914259 0.77 LRRK2 (0.44) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL21130280 0.75 AKR1B1 (0.44) ACLYKDM4EMAPTNPC1RAB9A
SCHEMBL19914281 0.73 CHRNB2 (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL22995377 0.72 PTPN2 (0.39) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24968485 0.70 PPARG (0.38) ACLYMAPT
SCHEMBL22382612 0.69 CYP11B1 (0.35) LRRK2CYP11B2HSPD1PTPN2PTPN1
SCHEMBL31208293 0.69 EGLN1 (0.33) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL22382311 0.69 EGLN1 (0.33) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL23176649 0.69 KDM4E (0.53) ACLYKDM4EMAPTNPC1RAB9A

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-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 — — 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 ACLY 1090/4885KDM4E 3731/4885MAPT 1807/4885

“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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