SCHEMBL19972032

SCHEMBL19972032

Nc1cccc(Cl)c1C(=O)Cl

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
JAK1 P23458 2/20 0.51
P2RX7 Q99572 1/20 0.48
TSHR P16473 3/20 0.46
NR4A2 P43354 1/20 0.45
FEN1 P39748 1/20 0.41
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
JAK2 O60674 2/20 0.39
TYK2 P29597 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL103586 0.84 ALDH1A1 (1.00) ALDH1A1JAK1P2RX7TSHRFEN1
SCHEMBL145510 0.83 ALDH1A1 (0.52) ALDH1A1JAK1P2RX7TSHRNR4A2
SCHEMBL147437 0.83 ALDH1A1 (0.52) ALDH1A1JAK1P2RX7TSHRNR4A2
Methane SCHEMBL28290707 0.81 ALDH1A1 (0.95) ALDH1A1JAK1P2RX7TSHRFEN1
SCHEMBL1188823 0.81 ALDH1A1 (0.50) ALDH1A1JAK1P2RX7TSHRNR4A2
Hydrochloric Acid SCHEMBL8993445 0.81 ALDH1A1 (0.50) ALDH1A1JAK1P2RX7TSHRNR4A2
SCHEMBL24209849 0.78 JAK1 (0.59) ALDH1A1JAK1P2RX7TSHRFEN1
Acetic Acid SCHEMBL28477652 0.78 JAK1 (0.47) ALDH1A1JAK1P2RX7TSHRNR4A2
SCHEMBL5741534 0.78 MAPT (0.55) ALDH1A1JAK1TSHRPOLBLMNA
SCHEMBL11457421 0.78 JAK1 (0.47) ALDH1A1JAK1P2RX7TSHRNR4A2

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 544/4885JAK1 1469/4885P2RX7 1519/4885

“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.