SCHEMBL3879302

SCHEMBL3879302

Nc1ccc(NCc2ccco2)c2c1oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 3/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 3/20 0.41
IGF1R P08069 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
CRHBP P24387 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
SCHEMBL3881414 0.90 LMNA (0.51) LMNASMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL3887899 0.79 IGF1R (0.45) LMNAHTTALDH1A1HPGDMAPT
SCHEMBL3876483 0.79 KDM4E (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL3873553 0.78 NR1I3 (0.40) SMN1; SMN2HTTALDH1A1HPGDMAPT
SCHEMBL3875137 0.77 NPSR1 (0.41) LMNASMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL3881372 0.76 RECQL (0.51) LMNAALDH1A1HPGDMAPTCYP1A2
SCHEMBL3874939 0.76 IGF1R (0.42) HTTALDH1A1HPGDMAPTHSD17B10
SCHEMBL3886270 0.75 RAB9A (0.45) LMNASMN1; SMN2HTTALDH1A1HPGD
SCHEMBL3887714 0.75 NPSR1 (0.41) LMNASMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL3875849 0.74 ALDH1A1 (0.53) ALDH1A1HPGDMAPTCYP1A2CYP2C9

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 LMNA 448/4885SMN1; SMN2 4772/4885HTT 3227/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 LMNA 448/4885SMN1; SMN2 4772/4885HTT 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.