SCHEMBL17965656

SCHEMBL17965656

c1ccc(Cn2c3ccccc3c3cc(N(c4ccc(N(c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)cc4)c4ccc(N(c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)c5ccc6c(c5)c5ccccc5n6Cc5ccccc5)cc4)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.66
P2RX4 Q99571 1/20 0.54
SRC P12931 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HBB P68871 1/20 0.43
NTRK1 P04629 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL17965655 0.98 CYP19A1 (0.64) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL22063794 0.98 CYP19A1 (0.64) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL18135002 0.98 CYP19A1 (0.64) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL29354558 0.94 CYP19A1 (0.55) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL17449597 0.94 CYP19A1 (0.55) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL12928016 0.89 CYP19A1 (0.51) CYP19A1P2RX4MEN1KMT2AMAPT
SCHEMBL12928019 0.89 CYP19A1 (0.51) CYP19A1P2RX4MEN1KMT2AMAPT
SCHEMBL23774553 0.88 CYP19A1 (0.58) CYP19A1P2RX4SRCMEN1KMT2A
SCHEMBL12928014 0.88 CYP19A1 (0.50) CYP19A1P2RX4MEN1KMT2AMAPT
SCHEMBL18134997 0.86 CYP19A1 (0.49) CYP19A1P2RX4MEN1KMT2AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053910-B1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL CORP (JP) 2021-04-28 EP disclosed
EP-3109914-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL CORP (JP) 2021-04-28 EP disclosed
US-10700283-B2 Aniline derivatives and uses thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-06-30 US disclosed
EP-3109914-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2016-12-28 EP disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 US disclosed
EP-3053910-A1 ANILINE DERIVATIVES AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP 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 (2 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-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF SLC18A1, SLC18A2, SLC43A1 CYP19A1 475/4885P2RX4 372/4885SRC 3643/4885
US-10700283-B2 Aniline derivatives and uses thereof SLC18A1, SLC18A2, SLC43A1 CYP19A1 475/4885P2RX4 372/4885SRC 3643/4885

“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.