Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6014467

CCC(C)c1ccccc1.N

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
TRPA1 O75762 4/20 0.55
LMNA P02545 1/20 0.52
AOC3 Q16853 2/20 0.52
RIPK1 Q13546 1/20 0.50
TSHR P16473 2/20 0.48
SLC7A5 Q01650 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
Benzene SCHEMBL5290987 0.97 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL17453236 0.97 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL4443642 0.97 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL136376 0.97 TAAR1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
Hydrogen Peroxide SCHEMBL11692595 0.95 TRPA1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
Hydrogen Peroxide SCHEMBL190109 0.95 TRPA1 (0.61) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL31498533 0.95 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
Methane SCHEMBL28848997 0.95 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
SCHEMBL27361065 0.95 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1
Ethane SCHEMBL27547931 0.95 TAAR1 (0.58) TAAR1TRPA1LMNAAOC3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO 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
US-4136100-A BLUE-VIOLET TO GREEN-BLUE DYEINGS ON CELLULOSE TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1979-01-23 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-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885TRPA1 2180/4885LMNA 1981/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 TAAR1 2085/4885TRPA1 2180/4885LMNA 1981/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 TAAR1 3738/4885TRPA1 2330/4885LMNA 602/4885

“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.