SCHEMBL453949

SCHEMBL453949

Nc1ccc(O)c(C(N)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PDE4D Q08499 1/20 0.40
AXL P30530 2/20 0.39
MEN1 O00255 1/20 0.39
PSIP1 O75475 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
GAA P10253 1/20 0.38
CYP17A1 P05093 1/20 0.38
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2264306 0.84 SMN1; SMN2 (0.39) SMN1; SMN2PDE4DAXLMEN1PSIP1
SCHEMBL27593798 0.80 KDM4E (0.40) SMN1; SMN2MEN1SLC6A2SLC6A3GAA
SCHEMBL2494591 0.74 CFTR (0.58) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL27595708 0.74 CYP17A1 (0.42) SMN1; SMN2PDE4DCFTRSLC6A2SLC6A4
SCHEMBL7160029 0.74 PDE10A (0.42) SLC6A4GAAALDH1A1TSHRMAPT
SCHEMBL7117300 0.72 SMN1; SMN2 (0.46) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3751857 0.72 CFTR (0.56) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3977541 0.71 CHRNB4 (0.38) PDE4DAXLMEN1PSIP1MKNK1
SCHEMBL5681756 0.71 MEN1 (0.48) SMN1; SMN2MEN1CFTRGOPCGAA
SCHEMBL4200912 0.71 ADRB1 (0.46) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN claimed
EP-1331918-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-08-06 EP claimed
US-6562080-B2 2-arylaminomethyl-4-aminophenols; light fastness, fastness to shampooing, fastness to permanent wave treatment CLAIROL INCORPORATED 2003-05-13 US claimed
US-20020144355-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US claimed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
EP-1484048-B1 Hair colouring compositions NOXELL CORP (US) 2019-01-02 EP disclosed
EP-1331918-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-08-06 EP disclosed
US-6562080-B2 2-arylaminomethyl-4-aminophenols; light fastness, fastness to shampooing, fastness to permanent wave treatment CLAIROL INCORPORATED 2003-05-13 US disclosed
US-6540793-B1 Coupler for use in oxidative hair dyeing CLAIROL INCORPORATED 2003-04-01 US disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
EP-1251822-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2002-10-30 EP disclosed
US-20020144355-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO disclosed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 WO 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 (4 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 SMN1; SMN2 622/4885PDE4D 1157/4885AXL 3974/4885
US-20020144355-A1 Primary intermediates for oxidative coloration of hair CYC1, CBR1, CBR3 SMN1; SMN2 4837/4885PDE4D 3896/4885AXL 3166/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 SMN1; SMN2 622/4885PDE4D 1157/4885AXL 3974/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 SMN1; SMN2 622/4885PDE4D 1157/4885AXL 3974/4885

“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.