SCHEMBL3887032

SCHEMBL3887032

Nc1ccc(N2CCCC2)c2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 3/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.44
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRKCA P17252 3/20 0.40
CASP1 P29466 1/20 0.39
RAD52 P43351 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
SCHEMBL3876761 0.88 LMNA (0.45) LMNAHSD17B10MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3873502 0.77 POLB (0.55) HSD17B10ALDH1A1POLBTDP1MAPT
SCHEMBL20887126 0.73 HSD17B10 (0.50) LMNAHSD17B10MAPK1SMN1; SMN2ALDH1A1
SCHEMBL10105292 0.72 KEAP1 (0.57) LMNAHSD17B10MAPK1ALDH1A1KDM4E
SCHEMBL19915264 0.72 HSD17B10 (0.51) LMNAHSD17B10MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3876965 0.71 IMPDH2 (0.55) HSD17B10ALDH1A1KDM4EPOLBTDP1
SCHEMBL28481256 0.71 POLB (0.49) HSD17B10ALDH1A1POLBTDP1MAPT
SCHEMBL29056463 0.70 KIF11 (0.49) LMNAHSD17B10MAPK1SMN1; SMN2ALDH1A1
SCHEMBL27653143 0.69 IMPDH2 (0.47) ALDH1A1KDM4EKEAP1POLBTDP1
SCHEMBL27521741 0.68 ALDH1A1 (0.45) LMNAHSD17B10MAPK1SMN1; SMN2ALDH1A1

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 8 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
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO 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 LMNA 448/4885HSD17B10 529/4885MAPK1 2400/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 LMNA 448/4885HSD17B10 529/4885MAPK1 2400/4885

“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.