SCHEMBL19972006

SCHEMBL19972006

Nc1cccc(I)c1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
JAK1 P23458 1/20 0.36
MMP2 P08253 1/20 0.35
P2RX7 Q99572 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPK1 P28482 1/20 0.32
TSHR P16473 4/20 0.32
CYP3A4 P08684 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL30742728 1.00 ALDH1A1 (0.45) ALDH1A1JAK1MMP2P2RX7HDAC3
SCHEMBL3405052 0.81 MMP2 (0.45) JAK1MMP2HDAC3HDAC1HDAC2
SCHEMBL15616798 0.77 ALDH1A1 (0.71) ALDH1A1JAK1P2RX7TSHRCYP3A4
SCHEMBL19972032 0.77 ALDH1A1 (0.71) ALDH1A1JAK1P2RX7TSHRCYP3A4
SCHEMBL4924666 0.77 ALDH1A1 (0.46) ALDH1A1TSHRTDP1ALOX15
SCHEMBL1804943 0.75 CES2 (0.52) ALDH1A1JAK1TDP1GAAALOX15
SCHEMBL7911668 0.75 CD44 (0.46) ALDH1A1JAK1MMP2TSHRCYP3A4
SCHEMBL12894735 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDTDP1MAPT
SCHEMBL4089662 0.75 CES2 (0.52) ALDH1A1JAK1HDAC1TDP1GAA
SCHEMBL19972022 0.75 ALDH1A1 (0.45) ALDH1A1JAK1MMP2P2RX7TSHR

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 1469/4885MMP2 4229/4885

“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.