SCHEMBL19972030

SCHEMBL19972030

Nc1cccc(Oc2ccc(N)cc2-c2nc3ccccc3o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.49
RAB9A P51151 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
MAPT P10636 11/20 0.48
ALDH1A1 P00352 8/20 0.48
HPGD P15428 7/20 0.48
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 8/20 0.46
KDM4E B2RXH2 8/20 0.46
TP53 P04637 5/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
CASP1 P29466 2/20 0.43
PTGS2 P35354 1/20 0.43
CASP7 P55210 1/20 0.42

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
SCHEMBL19972027 0.90 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2651134 0.79 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL13281919 0.78 NPC1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL10931478 0.77 MAOB (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28373720 0.77 RAB9A (0.61) NPC1RAB9AMEN1KMT2AATM
SCHEMBL19972045 0.76 ELANE (0.59) NPC1RAB9AMEN1KMT2AATM
SCHEMBL19972001 0.75 MMP2 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9115511 0.75 HSD17B10 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2248620 0.74 KDM6B (0.73) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2493940 0.74 MAPT (0.69) NPC1RAB9AMEN1KMT2AATM

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 2 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

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 NPC1 3197/4885RAB9A 4371/4885MEN1 1436/4885

“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.