Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6014385

CCC(O)CCc1cccnc1.N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
CHRNA7 P36544 2/20 0.49
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2A6 P11509 1/20 0.46
TBXAS1 P24557 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HRH1 P35367 2/20 0.44
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL6950753 0.98 TDP1 (0.54) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL10034621 0.98 TDP1 (0.54) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL9522636 0.89 TDP1 (0.60) TDP1L3MBTL1CHRNA7PKMKMT2A
SCHEMBL7803183 0.89 TDP1 (0.60) TDP1L3MBTL1CHRNA7PKMKMT2A
SCHEMBL5016747 0.88 CHRNA7 (0.57) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1
SCHEMBL6950222 0.83 CHRNA7 (0.52) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1
SCHEMBL7831473 0.83 CHRNA7 (0.52) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1
SCHEMBL6950227 0.83 CHRNA7 (0.52) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1
SCHEMBL6946868 0.81 CHRNA7 (0.50) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1
SCHEMBL8477435 0.81 CHRNA7 (0.50) TDP1L3MBTL1CHRNA7CYP2A6TBXAS1

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 TDP1 554/4885L3MBTL1 2205/4885CHRNB2 4841/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TDP1 554/4885L3MBTL1 2205/4885CHRNB2 4841/4885

“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.