SCHEMBL19972022

SCHEMBL19972022

Nc1cccc(Br)c1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MMP2 P08253 1/20 0.39
JAK1 P23458 1/20 0.36
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP3A4 P08684 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MIF P14174 1/20 0.32
MAPT P10636 2/20 0.31
PARP1 P09874 1/20 0.31
GAA P10253 1/20 0.31
PIK3CA P42336 1/20 0.31
BCHE P06276 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL11520275 0.84 ALDH1A1 (0.54) ALDH1A1HPGDTDP1MIFGAA
SCHEMBL1502516 0.81 PARP1 (0.41) ALDH1A1MMP2JAK1MAPK13MAPK12
SCHEMBL9092 0.81 MMP2 (0.45) ALDH1A1MMP2MAPK13MAPK12MAPK11
SCHEMBL1189236 0.79 THRB (0.45) ALDH1A1MMP2JAK1MAPK13MAPK12
SCHEMBL2844436 0.77 ALDH1A1 (0.71) ALDH1A1JAK1CYP3A4TSHRHPGD
SCHEMBL19972032 0.77 ALDH1A1 (0.71) ALDH1A1JAK1P2RX7CYP3A4TSHR
SCHEMBL4921450 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10HPGDMIF
SCHEMBL11857403 0.76 MAPT (0.55) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7539855 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDTDP1MAPT
SCHEMBL15809161 0.75 CES2 (0.52) ALDH1A1TDP1GAAALOX15MEN1

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 ALDH1A1 544/4885MMP2 4229/4885JAK1 1469/4885

“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.