SCHEMBL22196185

SCHEMBL22196185

COc1cc(OC)c2nc(N)cc(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
RAD52 P43351 1/20 0.44
NQO2 P16083 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
JAK2 O60674 1/20 0.43
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20867656 0.83 MAPT (0.50) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL20867655 0.78 NQO2 (0.45) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL20855332 0.78 NQO2 (0.42) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL11607410 0.72 KMT2A (0.43) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL20867658 0.72 LTA4H (0.41) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL20867657 0.72 JUND (0.40) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL24393117 0.71 NQO2 (0.41) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL11544523 0.71 KDM4E (0.53) KMT2ALMNAPOLBNQO2CYP19A1
SCHEMBL10290496 0.71 NSD2 (0.50) KMT2ASMN1; SMN2LMNAPOLBRAD52
SCHEMBL22750299 0.70 CRHR1 (0.47) KMT2ASMN1; SMN2LMNAPOLBRAD52

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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 KMT2A 1763/4885SMN1; SMN2 3919/4885LMNA 4095/4885

“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.