SCHEMBL6014431

SCHEMBL6014431

N/C=C/Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.70
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ARG2 P78540 1/20 0.52
IDO1 P14902 4/20 0.44
LOXL2 Q9Y4K0 2/20 0.43
TOP1 P11387 1/20 0.42
AGXT P21549 1/20 0.42
CALM1 P0DP23 1/20 0.41
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL12655770 1.00 MAOB (0.70) MAOBCA1CA2ARG2IDO1
SCHEMBL370890 1.00 MAOB (0.70) MAOBCA1CA2ARG2IDO1
SCHEMBL5630066 0.86 MAOB (0.52) MAOBCA1CA2ARG2IDO1
SCHEMBL5630072 0.86 MAOB (0.52) MAOBCA1CA2ARG2IDO1
SCHEMBL9285426 0.86 MAOB (0.48) MAOBCA1CA2ARG2IDO1
SCHEMBL6662237 0.83 MAOB (0.61) MAOBCA1CA2ARG2IDO1
SCHEMBL155054 0.83 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL155055 0.83 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL1524697 0.83 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL9288720 0.82 MAOB (0.46) MAOBCA1CA2ARG2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417896-A P-C bond-containing phosphorus-nitrogen triazine flame retardant and preparation method thereof 西北大学 2022-12-02 CN claimed
CN-115417896-A P-C bond-containing phosphorus-nitrogen triazine flame retardant and preparation method thereof 西北大学 2022-12-02 CN disclosed
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. 2017-06-15 US disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MAOB 402/4885CA1 1667/4885CA2 2598/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 MAOB 402/4885CA1 1667/4885CA2 2598/4885
US-20170166565-A1 BICYCLIC INHIBITORS OF PAD4 PADI4, PADI1, PADI2 MAOB 1699/4885CA1 3126/4885CA2 3632/4885

“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.