SCHEMBL3887714

SCHEMBL3887714

Nc1ccc(NCc2ccco2)c2[nH]c3ccccc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 8/20 0.41
POLB P06746 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
PNP P00491 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
IDE P14735 1/20 0.39

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
SCHEMBL3875137 0.91 NPSR1 (0.41) NPSR1ALDH1A1POLBMAPTKDM4E
SCHEMBL3884370 0.79 UTS2R (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2TSHR
SCHEMBL3881403 0.79 UTS2R (0.46) POLBMAPTKMT2AMEN1TDP1
SCHEMBL3875487 0.76 TERT (0.46) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL3874937 0.76 PNP (0.39) POLBMAPTPNPKMT2ANPC1
SCHEMBL3884667 0.75 RAB9A (0.45) NPSR1ALDH1A1POLBMAPTKDM4E
SCHEMBL3879302 0.75 LMNA (0.51) NPSR1ALDH1A1POLBMAPTKDM4E
SCHEMBL3881414 0.75 LMNA (0.51) NPSR1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3880609 0.74 KDM4E (0.49) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL3886270 0.72 RAB9A (0.45) NPSR1ALDH1A1POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 NPSR1 4739/4885ALDH1A1 660/4885POLB 796/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NPSR1 4739/4885ALDH1A1 660/4885POLB 796/4885

“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.