SCHEMBL19970384

SCHEMBL19970384

CCCn1ccnc1/N=N/c1cnn(CCCNC(=O)O)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TLR8 Q9NR97 2/20 0.30

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
SCHEMBL19970390 1.00 POLB (0.32) POLBHPGDHTTCA12CA1
SCHEMBL19970373 0.93 TLR8 (0.38) POLBTLR8
SCHEMBL19970370 0.93 TLR8 (0.38) POLBTLR8
SCHEMBL19977077 0.87 CSNK2A2 (0.36) POLBCA12CA1CA2CA9
SCHEMBL19975877 0.86 TLR8 (0.38) POLBTLR8
SCHEMBL19970383 0.83 EPHX1 (0.39) POLBTLR8
SCHEMBL19970387 0.83 EPHX1 (0.39) POLBTLR8
SCHEMBL19977079 0.81 CSNK2A2 (0.36) CA12CA1CA2CA9TLR8
SCHEMBL19970369 0.76 ITGB3 (0.33)
SCHEMBL19970375 0.76 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 7 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-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
US-20180079907-A1 Stable Yellow Imidazolium Compounds WELLA OPERATIONS US, LLC 2018-03-22 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-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 POLB 1492/4885HPGD 1927/4885HTT 770/4885
US-10093807-B2 Stable yellow imidazolium compounds IK, NDUFV1, NDUFV2 POLB 1469/4885HPGD 3066/4885HTT 2647/4885
US-20180079907-A1 Stable Yellow Imidazolium Compounds IK, NDUFV1, NDUFV2 POLB 1469/4885HPGD 3066/4885HTT 2647/4885

“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.