SCHEMBL6014439

SCHEMBL6014439

NCCCc1cccc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
HRH1 P35367 2/20 0.43
TAAR1 Q96RJ0 5/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2A6 P11509 1/20 0.36
MBOAT4 Q96T53 1/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL12720913 0.88 HRH1 (0.47) KCNH2HRH1TAAR1CYP3A4TSHR
SCHEMBL522831 0.85 KCNH2 (0.56) KCNH2HRH1CYP2A6NOS1NOS2
SCHEMBL14835167 0.80 KCNH2 (0.43) KCNH2CYP3A4TSHRMBOAT4NOS1
SCHEMBL11903968 0.80 KCNH2 (0.62) KCNH2CYP3A4TSHRMBOAT4NOS2
SCHEMBL14835224 0.80 KCNH2 (0.43) KCNH2CYP3A4TSHRMBOAT4ALDH1A1
SCHEMBL31190859 0.79
SCHEMBL904618 0.79
SCHEMBL14834386 0.78 KCNH2 (0.46) KCNH2HRH1CYP3A4TSHRMBOAT4
SCHEMBL4718869 0.78 NOS1 (0.46) KCNH2HRH1NOS1NOS2
SCHEMBL28474866 0.77 KCNH2 (0.40) KCNH2CYP3A4TSHRMBOAT4NOS1

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
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 KCNH2 3759/4885HRH1 1821/4885TAAR1 2085/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 KCNH2 3759/4885HRH1 1821/4885TAAR1 2085/4885

“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.