SCHEMBL3339435

SCHEMBL3339435

CC(=O)c1ccc(N=CNc2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
KMT2A Q03164 2/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
MAPK1 P28482 2/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
NLRP1 Q9C000 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3339432 1.00 CYP1A1 (0.53) CYP1A1CYP1B1KMT2ANPC1RAB9A
SCHEMBL8075451 0.84 CA2 (0.51) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL8075453 0.84 CA2 (0.51) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL11587084 0.83 CA1 (0.56) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11587088 0.83 CA1 (0.56) KMT2ANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11582941 0.82 MAPT (0.54) CYP1A1KMT2ANPC1RAB9AMAPT
SCHEMBL11582942 0.82 MAPT (0.54) CYP1A1KMT2ANPC1RAB9AMAPT
SCHEMBL11584033 0.82 KMT2A (0.46) KMT2ARAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL11584029 0.82 KMT2A (0.46) KMT2ARAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL8088639 0.78 KMT2A (0.57) KMT2ANPC1RAB9AMAPTSMN1; 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-20100155650-A1 Amidine-carboxylic acid complex, briged polynuclear complex derived therefrom, production methods therefor, and use for preparing supported metal or metal oxide clusters TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-06-24 US disclosed
WO-2007141662-A2 AMIDINE-CARBOXYLIC ACID COMPLEX, BRIDGED POLYNUCLEAR COMPLEX DERIVED THEREFROM, PRODUCTION METHODS THEREFOR, AND USE FOR PREPARING SUPPORTED METAL OR METAL OXIDE CLUSTERS TOYOTA JIDOSHA KABUSHIKI KAISHA (GB) 2007-12-13 WO 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-20100155650-A1 Amidine-carboxylic acid complex, briged polynuclear complex derived therefrom, production methods therefor, and use for preparing supported metal or metal oxide clusters PICALM, PBRM1, HADH CYP1A1 3332/4885CYP1B1 2307/4885KMT2A 3629/4885

“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.