SCHEMBL6014438

SCHEMBL6014438

NCCC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.44
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HRH1 P35367 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPG P10696 1/20 0.39
TAAR1 Q96RJ0 3/20 0.38
SLC6A2 P23975 2/20 0.38
CYP2A6 P11509 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADORA2A P29274 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
SCHEMBL9279472 0.85 CPA1 (0.46) CPA1EPHX1ALPIPKMPTGS1
SCHEMBL9756637 0.84 CPA1 (0.49) CPA1EPHX1ALDH1A1SMN1; SMN2
SCHEMBL9356423 0.82 CPA1 (0.44) CPA1ALPLPOLBALPGTAAR1
SCHEMBL27988988 0.82 CPA1 (0.44) CPA1EPHX1ALDH1A1ALPIPKM
SCHEMBL9548337 0.79 CPA3 (0.56) CPA1
SCHEMBL4436809 0.78 CPA1 (0.46) CPA1EPHX1ALDH1A1ALPIPKM
SCHEMBL28232642 0.78 CPA1 (0.46) CPA1ALPLPOLBALPGTAAR1
SCHEMBL8977883 0.78 CPA1 (0.59) CPA1EPHX1
SCHEMBL5981148 0.78 CPA1 (0.50) CPA1ALPIPKMPTGS1XIAP
SCHEMBL28259287 0.78 CPA1 (0.50) CPA1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4961916-A FOR COLLECTING GASEOUS AND AEROSOL ISOCYANATES IN POLLUTED AIR; POROUS FILTER IMPREGNATED WITH SECONDARY AMINE IRSST-INSTITUT DE RECHERCHE EN SANTE ET EN SECURITE DU TRAVAIL DU QUEBEC (CA) 1990-10-09 US claimed
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 (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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPA1 1319/4885EPHX1 912/4885ALDH1A1 37/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 CPA1 1319/4885EPHX1 912/4885ALDH1A1 37/4885

“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.