SCHEMBL2180470

SCHEMBL2180470

C=C1N(CCO)c2ccccc2C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.37
HTT P42858 5/20 0.37
LMNA P02545 4/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 5/20 0.35
KDM4E B2RXH2 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL30996203 0.85 CYP1A2 (0.55) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL5573253 0.85 KMT2A (0.47) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL9738900 0.83 KMT2A (0.46) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL6093583 0.82 KMT2A (0.53) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL6091601 0.81 KMT2A (0.46) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL10448669 0.81 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTHTT
SCHEMBL22799247 0.81 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL4982011 0.81 KMT2A (0.44) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL18601760 0.81 KMT2A (0.51) KMT2ACYP1A2CYP2D6MAPTTP53
SCHEMBL11436438 0.81 KMT2A (0.44) KMT2ACYP1A2CYP2D6MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194633-B1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AG (DE) 2008-04-30 EP claimed
EP-1341503-B1 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-02-13 EP claimed
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 US claimed
US-6835212-B2 Compound with a nucleophilic reaction center, aryl alcohol or benzyl alcohol derivatives and an oxidizing enzyme WELLA AKTIENGESELLSCHAFT (DE) 2004-12-28 US claimed
EP-1194118-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-09-15 EP claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
US-6740128-B2 BLEND CONTAINING ENAMINE AND ALKALINE MIXTURE OF ALDEHYDE AND PRIMARY AMINE WELLA AKTIENGESELLSCHAFT (DE) 2004-05-25 US claimed
EP-1054657-B1 AGENT FOR COLORING FIBERS WELLA AG (DE) 2004-01-07 EP claimed
US-6669739-B2 Agent for coloring fibers and method for temporarily coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-12-30 US claimed
EP-1341503-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-09-10 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
US-20030041391-A1 Agent and method for dyeing keratin fibres Wella GmbH (DE) 2003-03-06 US claimed
US-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-11-21 US claimed
WO-2002047633-A2 AGENT AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-06-20 WO claimed
EP-1194118-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP claimed
EP-1194633-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS Wella Aktiengesellschaft (DE) 2002-04-10 EP claimed
WO-2001086057-A1 AGENT FOR COLORING FIBERS AND METHOD FOR TEMPORARILY COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
WO-2001085111-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO claimed
EP-1054657-A1 AGENT FOR COLORING FIBERS Wella Aktiengesellschaft (DE) 2000-11-29 EP claimed
WO-2000033799-A1 AGENT FOR COLORING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2000-06-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020172651-A1 Agent for coloring fibers and method for temporarily coloring fibers ENO1, H1-5, H1-2 KMT2A 943/4885CYP1A2 1465/4885CYP2D6 3169/4885
US-20030041391-A1 Agent and method for dyeing keratin fibres KRT18, AKR7A2, ADH5 KMT2A 651/4885CYP1A2 323/4885CYP2D6 1180/4885

“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.