SCHEMBL19970375

SCHEMBL19970375

Nc1c(N=Nc2ncc[nH]2)cnn1CCCNC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.33
ITGAV P06756 11/20 0.33
ITGA2B P08514 10/20 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
SCHEMBL19970369 1.00 ITGB3 (0.33) ITGB3ITGAVITGA2B
SCHEMBL19977121 0.85 CSNK2A2 (0.38)
SCHEMBL19970419 0.80 CYP1A2 (0.34)
SCHEMBL19970420 0.80 CYP1A2 (0.34)
SCHEMBL19970414 0.80 ALDH1A1 (0.33)
SCHEMBL19970417 0.80 ALDH1A1 (0.33)
SCHEMBL19970416 0.78 TLR8 (0.34)
SCHEMBL19970418 0.78 TLR8 (0.34)
SCHEMBL19970363 0.78 ALDH1A1 (0.36)
SCHEMBL19970358 0.78 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512604-B1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE WELLA OPERATIONS US LLC (US) 2023-05-31 EP disclosed
US-10093807-B2 Stable yellow imidazolium compounds NOXELL CORPORATION (US) 2018-10-09 US disclosed
US-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 US disclosed
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 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-20180078477-A1 Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds WASHC4, TYR, WASHC5 ITGB3 4469/4885ITGAV 4339/4885ITGA2B 4398/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 ITGB3 1608/4885ITGAV 150/4885ITGA2B 522/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 ITGB3 1608/4885ITGAV 150/4885ITGA2B 522/4885

“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.