SCHEMBL22044362

SCHEMBL22044362

Cc1ccc(N)c(C(C)(c2ccccc2)c2cc(C)ccc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
KIF11 P52732 6/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 2/20 0.38
FFAR4 Q5NUL3 2/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL22044355 0.90 SMN1; SMN2 (0.46) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL11020376 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL22044370 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL22050632 0.79 ALDH1A1 (0.45) SMN1; SMN2CYP3A4KIF11ESR1ESR2
SCHEMBL10686605 0.78 ESR1 (0.45) SMN1; SMN2TDP1CYP3A4ALOX15ESR1
SCHEMBL22051104 0.78 ESR1 (0.44) SMN1; SMN2CYP3A4KIF11ESR1ESR2
SCHEMBL22051862 0.77 HSD17B10 (0.45) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL22050375 0.77 KIF11 (0.45) SMN1; SMN2TDP1CYP3A4THRBKIF11
SCHEMBL33608 0.76 SMN1; SMN2 (0.63) SMN1; SMN2TDP1CYP3A4ALOX15TP53
SCHEMBL22050398 0.76 SMN1; SMN2 (0.42) SMN1; SMN2TDP1CYP3A4ALOX15TP53

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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-04 US disclosed
EP-3659996-A1 NOVEL (POLY)AMINE COMPOUND, RESIN, AND CURED PRODUCT Mitsubishi Gas Chemical Company, Inc. (JP) 2020-06-03 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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT PAM, CBR1, KDM1A SMN1; SMN2 958/4885TDP1 2589/4885CYP3A4 1300/4885

“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.