SCHEMBL19970358

SCHEMBL19970358

CCCn1ncc(/N=N/c2ncc[nH]2)c1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
AGTR1 P30556 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19970363 1.00 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970420 0.92 CYP1A2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970419 0.92 CYP1A2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970418 0.90 TLR8 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970416 0.90 TLR8 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970414 0.86 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970417 0.86 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970361 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970364 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL19970375 0.78 ITGB3 (0.33)

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 14 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
EP-3512604-B1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE WELLA OPERATIONS US LLC (US) 2023-05-31 EP disclosed
EP-3512604-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE Noxell Corporation (US) 2019-07-24 EP disclosed
US-10093807-B2 Stable yellow imidazolium compounds NOXELL CORPORATION (US) 2018-10-09 US disclosed
WO-2018053027-A1 STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE NOXELL CORPORATION (US) 2018-03-22 WO 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-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-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-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
US-9918919-B1 Method of coloring hair with washfast yellow imidazolium direct dye compounds NOXELL CORPORATION (US) 2018-03-20 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 ALDH1A1 228/4885CYP1A2 2134/4885CYP3A4 1179/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 ALDH1A1 1345/4885CYP1A2 460/4885CYP3A4 107/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 ALDH1A1 1345/4885CYP1A2 460/4885CYP3A4 107/4885

“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.