SCHEMBL3874937

SCHEMBL3874937

Nc1ccc(NCc2ccsc2)c2[nH]c3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.39
UTS2R Q9UKP6 2/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32

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
SCHEMBL3879223 0.91 PNP (0.39) PNPUTS2RTDO2NPC1EGFR
SCHEMBL3884370 0.80 UTS2R (0.53) PNPUTS2RKDM4CMEN1MAPT
SCHEMBL3881403 0.77 UTS2R (0.46) UTS2RPOLBTDP1GABRPGABRD
SCHEMBL3887714 0.76 NPSR1 (0.41) PNPNPC1POLBTDP1MEN1
SCHEMBL3874982 0.76 NPC1 (0.39) PNPNPC1EGFRKDM4CPOLB
SCHEMBL3875487 0.75 TERT (0.46) UTS2RPOLBTDP1GABRPGABRD
SCHEMBL3878273 0.74 HPGD (0.40) PNPNPC1EGFRKDM4CGRM5
SCHEMBL3874939 0.74 IGF1R (0.42) PNPNPC1EGFRKDM4CMAPT
SCHEMBL3880609 0.73 KDM4E (0.49) UTS2RPOLBMEN1MAPTKMT2A
SCHEMBL3886264 0.72 APP (0.40) PNPNPC1EGFRKDM4CPOLB

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 PNP 4672/4885UTS2R 3676/4885TDO2 746/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PNP 4672/4885UTS2R 3676/4885TDO2 746/4885

“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.