SCHEMBL3873553

SCHEMBL3873553

Nc1ccc(NCc2cccs2)c2c1oc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
EGFR P00533 3/20 0.38
IGF1R P08069 3/20 0.38
FLT4 P35916 3/20 0.38
KDR P35968 3/20 0.38
UTS2R Q9UKP6 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3878111 0.90 NR1I3 (0.40) NR1I3HPGDHTTHSD17B10EGFR
SCHEMBL3874939 0.81 IGF1R (0.42) HPGDHTTHSD17B10EGFRIGF1R
SCHEMBL3876483 0.79 KDM4E (0.47) HSD17B10EGFRIGF1RFLT4KDR
SCHEMBL3879302 0.78 LMNA (0.51) HPGDHTTHSD17B10EGFRIGF1R
SCHEMBL3886260 0.77 UTS2R (0.53) UTS2RKDM4ETSHRMAPTRAB9A
SCHEMBL3887899 0.77 IGF1R (0.45) HPGDHTTHSD17B10EGFRIGF1R
SCHEMBL3881372 0.76 RECQL (0.51) HPGDEGFRIGF1RFLT4KDR
SCHEMBL3872855 0.75 APP (0.41) HPGDUTS2RKDM4EMAPTSMN1; SMN2
SCHEMBL3875849 0.74 ALDH1A1 (0.53) HPGDHSD17B10EGFRIGF1RFLT4
SCHEMBL3884370 0.74 UTS2R (0.53) UTS2RKDM4ETSHRMAPTRAB9A

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 NR1I3 2403/4885HPGD 290/4885HTT 3227/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NR1I3 2403/4885HPGD 290/4885HTT 3227/4885

“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.