SCHEMBL19972048

SCHEMBL19972048

Nc1cccc(C(=O)Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 2/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 4/20 0.38
CFTR P13569 1/20 0.38
P2RX7 Q99572 1/20 0.37
NSD2 O96028 2/20 0.37
TP53 P04637 1/20 0.36
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
FADS1 O60427 1/20 0.35
KDM4E B2RXH2 3/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDC25B P30305 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
SCHEMBL4728428 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15GAAKDM4EPOLB
SCHEMBL5227176 0.81 MMP2 (0.61) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL29586692 0.81 MMP2 (0.61) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL17804359 0.79 MMP2 (0.44) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL6420545 0.78 ALDH1A1 (0.45) ALDH1A1ALOX15GAAHSD17B10NPC1
SCHEMBL2473273 0.78 MMP2 (0.47) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL29183517 0.78 ALDH1A1 (0.54) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL30754399 0.78 MAPT (0.56) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL3939921 0.78 MAPT (0.56) MMP2ALDH1A1ALOX15MAPTGAA
SCHEMBL7596116 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTP2RX7POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN 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-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 MMP2 4229/4885ALDH1A1 544/4885ALOX15 1524/4885

“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.