SCHEMBL16202003

SCHEMBL16202003

Cc1ccc(C)c(-n2cnc(C)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
HCAR1 Q9BXC0 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
TNF P01375 1/20 0.36
TP53 P04637 2/20 0.35
KMT2A Q03164 3/20 0.35
OPRM1 P35372 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
PAX2 Q02962 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL17720568 0.82 POLB (0.36) ALDH1A1MAPTKMT2ALMNANPC1
SCHEMBL16202095 0.82 HCAR1 (0.43) HCAR1ALDH1A1MAPTTP53KMT2A
SCHEMBL31284563 0.82 ALDH1A1 (0.49) HSD17B10ALDH1A1MAPTTP53KMT2A
SCHEMBL17720567 0.79 POLB (0.41) TP53KMT2ALMNANPC1RAB9A
SCHEMBL16201996 0.77 FLT3 (0.44) HCAR1ALDH1A1MAPTKMT2ALMNA
SCHEMBL14878330 0.76 KMT2A (0.44) ALDH1A1KMT2ALMNA
SCHEMBL16279396 0.75 SRC (0.36) HCAR1ALDH1A1MAPTKMT2ALMNA
SCHEMBL18773501 0.75 ALOX5AP (0.39) ALDH1A1NPC1RAB9ANPSR1L3MBTL1
SCHEMBL6127801 0.74 KDM4E (0.47) HSD17B10ALDH1A1MAPTKMT2ALMNA
SCHEMBL16277896 0.74 CSNK2A1 (0.45) ALDH1A1MAPTKMT2ALMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 HSD17B10 4261/4885HCAR1 1947/4885ALDH1A1 2106/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 HSD17B10 4375/4885HCAR1 1979/4885ALDH1A1 3309/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 HSD17B10 4375/4885HCAR1 1979/4885ALDH1A1 3309/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB HSD17B10 2238/4885HCAR1 2965/4885ALDH1A1 2278/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB HSD17B10 2238/4885HCAR1 2965/4885ALDH1A1 2278/4885

“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.