SCHEMBL16202050

SCHEMBL16202050

Cc1cc(C)nc(-c2ccc(OC(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
DRD1 P21728 1/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RET P07949 1/20 0.40
LMNA P02545 2/20 0.40
F2RL3 Q96RI0 2/20 0.39
ALOX15 P16050 2/20 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
SCHEMBL22678524 0.84 MCL1 (0.47) ATMRETALOX15GFERADAM17
SCHEMBL29408290 0.84 MCL1 (0.47) ATMRETALOX15GFERADAM17
SCHEMBL29438990 0.79 ADORA1 (0.46) ALDH1A1RAB9AMAPTGAADRD1
SCHEMBL22678577 0.78 NPSR1 (0.45) ALDH1A1RAB9AMAPTGAADRD1
SCHEMBL17720570 0.77 KDM4E (0.57) ALDH1A1RAB9AMAPTGAAHPGD
SCHEMBL9060542 0.75 RXRA (0.45) ALDH1A1RAB9AMAPTGAADRD1
SCHEMBL10668863 0.75 RAB9A (0.51) ALDH1A1RAB9AMAPTGAAHPGD
SCHEMBL22658051 0.75 CTRC (0.48) ALDH1A1GAAHPGDMEN1MAPK1
SCHEMBL29408192 0.75 CTRC (0.48) ALDH1A1GAAHPGDMEN1MAPK1
SCHEMBL9062264 0.74 DRD1 (0.46) ALDH1A1RAB9AMAPTGAADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020230134-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 WO disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ALDH1A1 2278/4885RAB9A 1342/4885MAPT 2644/4885

“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.