SCHEMBL444243

SCHEMBL444243

O=[N+]([O-])c1ccc(/C=N/c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
MAPT P10636 4/20 0.57
PTGS1 P23219 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
MAOB P27338 2/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRIN2D O15399 1/20 0.50

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
SCHEMBL444244 1.00 PTGS2 (0.65) PTGS2CA12CA1CA2CA9
SCHEMBL1876228 0.93 PTGS2 (0.65) PTGS2CA12CA1CA2CA9
SCHEMBL1876224 0.93 PTGS2 (0.65) PTGS2CA12CA1CA2CA9
SCHEMBL8094327 0.91 CA1 (0.76) PTGS2CA12CA1CA2CA9
SCHEMBL14164182 0.91 CA1 (0.76) PTGS2CA12CA1CA2CA9
SCHEMBL11585495 0.86 PTGS2 (0.69) PTGS2CA12CA1CA2CA9
SCHEMBL11585493 0.86 PTGS2 (0.69) PTGS2CA12CA1CA2CA9
SCHEMBL11585488 0.86 PTGS2 (0.69) PTGS2CA12CA1CA2CA9
SCHEMBL9458165 0.83 PTGS2 (0.66) PTGS2CA12CA1CA2CA9
SCHEMBL12972526 0.83 PTGS2 (0.70) PTGS2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065430-A1 Application of Metal Amidoborane and Their Derivatives in Reduction Reaction DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2012-03-15 US claimed
US-4076646-A O- OR M-TERPHENYLS HITACHI, LTD. (JA) 1978-02-28 US claimed
US-20220008887-A1 Swellable Organically Modified Silica as Nanoreactors APPALACHIAN STATE UNIVERSITY 2022-01-13 US disclosed
WO-2018185675-A1 SUBSTITUTED OXOAZETIDINE ANALOGUES AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-10-11 WO disclosed
US-20120065430-A1 Application of Metal Amidoborane and Their Derivatives in Reduction Reaction DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2012-03-15 US disclosed
US-20100143580-A1 Stabilization of Bicycloheptadiene AMERICAN AIR LIQUIDE, INC. (US) 2010-06-10 US disclosed
US-RE40795-E1 Process for producing 5-substituted oxazole compounds and 5-substituted imidazole compounds NIPPON SODA CO., LTD. (JP) 2009-06-23 US disclosed
US-20070027324-A1 Process for producing 5-substituted oxazole compounds and 5-substituted imidazole compounds NIPPON SODA CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027324-A1 Process for producing 5-substituted oxazole compounds and 5-substituted imidazole compounds NIPPON SODA CO., LTD. (JP) 2007-02-01 US disclosed
US-4076646-A O- OR M-TERPHENYLS HITACHI, LTD. (JA) 1978-02-28 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 (3 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-20070027324-A1 Process for producing 5-substituted oxazole compounds and 5-substituted imidazole compounds DDT, TES, ALK PTGS2 2874/4885CA12 1948/4885CA1 671/4885
US-20100143580-A1 Stabilization of Bicycloheptadiene DHCR7, CYP8B1, HCCS PTGS2 1220/4885CA12 2070/4885CA1 3086/4885
US-20220008887-A1 Swellable Organically Modified Silica as Nanoreactors MSN, SORD, OGA PTGS2 3420/4885CA12 688/4885CA1 812/4885

“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.