SCHEMBL7126094

SCHEMBL7126094

CCCCCCCCCCCCCCNc1cc(OCC)nc(N)[n+]1[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DNM2 P50570 4/20 0.34
TLR8 Q9NR97 4/20 0.33
GPR84 Q9NQS5 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SOAT1 P35610 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ACHE P22303 3/20 0.31
BCHE P06276 2/20 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
SCHEMBL7122679 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7124368 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7124421 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7124409 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7123826 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7121632 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7122726 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7124475 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7125685 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8
SCHEMBL7121638 1.00 MAPT (0.35) MAPTHTTNPSR1DNM2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653317-B2 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss SOCIETE L'OREAL S.A. (FR) 2003-11-25 US claimed
US-20030130294-A1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss MAHE YANN (FR) 2003-07-10 US claimed
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US claimed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 US claimed
US-20010044444-A1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss MAHE YANN (FR) 2001-11-22 US claimed
US-6291468-B1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss SOCIETE L'OREAL S.A. (FR) 2001-09-18 US claimed
US-6653317-B2 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss SOCIETE L'OREAL S.A. (FR) 2003-11-25 US disclosed
US-20030130294-A1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss MAHE YANN (FR) 2003-07-10 US disclosed
US-6511659-B2 Treatment of alopecia, cosmetics SOCIETE L'OREAL S.A. (FR) 2003-01-28 US disclosed
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US disclosed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 US disclosed
US-6291468-B1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss SOCIETE L'OREAL S.A. (FR) 2001-09-18 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-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS TPMT, IL33, PTGS2 MAPT 97/4885HTT 3540/4885NPSR1 1139/4885
US-20030130294-A1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss TK2, TYR, MTR MAPT 4148/4885HTT 3359/4885NPSR1 4040/4885
US-20010044444-A1 Pyrimidine 3-oxide compounds for inducing/stimulating hair growth and/or retarding hair loss TK2, TYR, MTR MAPT 4097/4885HTT 3489/4885NPSR1 4038/4885

“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.