SCHEMBL19972042

SCHEMBL19972042

Nc1ccc(C(=O)Cl)c(I)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
ESR2 Q92731 1/20 0.44
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
THRB P10828 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 4/20 0.39
RECQL P46063 3/20 0.39
KDR P35968 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39

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
Hydrochloric Acid SCHEMBL11879331 0.98 MAPT (0.42) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL19971999 0.83 MAPT (0.44) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL255553 0.81 ALDH1A1 (0.61) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL23242477 0.77 CES2 (0.45) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL1626671 0.77 SMN1; SMN2 (0.47) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL4727563 0.77 TPMT (0.37) ALDH1A1HSD17B10ALOX15CA1CA2
SCHEMBL11630588 0.77 JAK2 (0.51) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL11223188 0.77 ALDH1A1 (0.67) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL13977482 0.75 PDE10A (0.48) MAPTALDH1A1CYP3A4KDM4EGAA
SCHEMBL31612915 0.75 ALDH1A1 (0.52) MAPTALDH1A1CYP3A4KDM4EGAA

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 MAPT 2773/4885ALDH1A1 544/4885CYP3A4 933/4885

“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.