SCHEMBL3858396

SCHEMBL3858396

Cc1cc([N+](=O)[O-])ccc1NCCN(CCO)CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
CRHBP P24387 3/20 0.53
CRHR2 Q13324 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 10/20 0.49
THRB P10828 2/20 0.48
ALPG P10696 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC22A2 O15244 1/20 0.47
ADRB1 P08588 1/20 0.47
SLC6A4 P31645 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC47A2 Q86VL8 1/20 0.47

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
SCHEMBL9682978 0.86 KMT2A (0.65) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9760189 0.84 TSHR (0.57) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL14003611 0.83 ALDH1A1 (0.65) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL26640796 0.83 MAPT (0.58) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL5153977 0.83 MAPT (0.58) MAPTKMT2AMEN1CRHBPCRHR2
Hydrochloric Acid SCHEMBL9760625 0.83 TSHR (0.56) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL14003609 0.82 ALDH1A1 (0.60) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4861171 0.81 ALDH1A1 (0.59) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4862815 0.81 KMT2A (0.56) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4861926 0.81 ALDH1A1 (0.59) MAPTKMT2AMEN1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 EP 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 (1 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP MAPT 2302/4885KMT2A 1656/4885MEN1 4021/4885

“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.