SCHEMBL20124609

SCHEMBL20124609

COCOc1ccc(C)nc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.50
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SYK P43405 2/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL29444437 1.00 S1PR4 (0.50) S1PR4MEN1KMT2ATGFBR1RAB9A
SCHEMBL12036800 0.81 NNMT (0.42) S1PR4KMT2ATGFBR1KDM4EL3MBTL1
SCHEMBL16230349 0.81 S1PR4 (0.53) S1PR4MEN1KMT2ARAB9ANPC1
SCHEMBL16742675 0.81 S1PR4 (0.34) S1PR4KDM4EALDH1A1L3MBTL1
SCHEMBL12037052 0.81 S1PR4 (0.53) S1PR4RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL12036727 0.81 AAK1 (0.41) S1PR4SMN1; SMN2KDM4EL3MBTL1
SCHEMBL30082515 0.81 S1PR4 (0.34) S1PR4KDM4EALDH1A1L3MBTL1
SCHEMBL3395611 0.79 KDM4E (0.52) S1PR4MEN1KMT2ARAB9ANPC1
SCHEMBL14290550 0.79 S1PR4 (0.53) S1PR4MEN1KMT2ARAB9ANPC1
SCHEMBL15985927 0.78 CCR1 (0.38) S1PR4KDM4EALDH1A1L3MBTL1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236053-B2 NADPH oxidase inhibitors and uses thereof EMORY UNIVERSITY (US) 2022-02-01 US disclosed
US-20200270214-A1 NADPH Oxidase Inhibitors and Uses Thereof UNIV EMORY (US) 2020-08-27 US disclosed
WO-2019023448-A1 NADPH OXIDASE INHIBITORS AND USES THEREOF EMORY UNIVERSITY (US) 2019-01-31 WO disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 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-20200270214-A1 NADPH Oxidase Inhibitors and Uses Thereof NOX1, NOX3, NOX5 S1PR4 2749/4885MEN1 4554/4885KMT2A 2871/4885
US-11236053-B2 NADPH oxidase inhibitors and uses thereof NOX1, NOX3, NOX5 S1PR4 2749/4885MEN1 4554/4885KMT2A 2871/4885

“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.