SCHEMBL22862181

SCHEMBL22862181

Nc1ccc(C(c2ccc(N)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.71
TDP1 Q9NUW8 3/20 0.71
TAAR1 Q96RJ0 3/20 0.71
HSD17B10 Q99714 2/20 0.71
ALDH1A1 P00352 6/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.46
MAOA P21397 2/20 0.44

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
SCHEMBL22050412 0.90 ALDH1A1 (0.65) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL133754 0.87 TSHR (0.53) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL3688628 0.87 TSHR (0.53) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL2838545 0.87 ALDH1A1 (0.56) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL23527429 0.85 CHRNB2 (0.58) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL21392391 0.84 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL15921057 0.84 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL24524183 0.84 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Biphenyl-4-Amine SCHEMBL20296849 0.84 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Benzidine SCHEMBL29002343 0.84 CYP3A4 (1.00) CYP3A4TDP1TAAR1HSD17B10ALDH1A1

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-20210003921-A1 COMPOUND, RESIN, COMPOSITION, AND FILM FORMING MATERIAL FOR LITHOGRAPHY USING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-07 US disclosed
EP-3760611-A1 COMPOUND, RESIN, COMPOSITION AND FILM-FORMING MATERIAL FOR LITHOGRAPHY USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-01-06 EP 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-20210003921-A1 COMPOUND, RESIN, COMPOSITION, AND FILM FORMING MATERIAL FOR LITHOGRAPHY USING THE SAME COL1A1, MLLT3, F12 CYP3A4 2620/4885TDP1 4068/4885TAAR1 2758/4885

“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.