SCHEMBL3875015

SCHEMBL3875015

Nc1ccc2c(c1)sc1cc(NCCO)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP12 P39900 1/20 0.37
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 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
SCHEMBL3875392 0.84 NOX4 (0.42) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3874431 0.83 ALDH1A1 (0.46) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3874860 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL204571 0.75 MAPT (0.78) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL30267589 0.75 MAPT (0.78) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL30785527 0.75 MAPT (0.78) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3877099 0.75 KIF11 (0.47) ALDH1A1HPGDFCGR3BFCGR1AFCGR2A
SCHEMBL3880364 0.75 KDM4E (0.47) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3876183 0.74 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL33766 0.73 APP (0.48) ALDH1A1RAB9AMAPTFCGR3BFCGR1A

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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 ALDH1A1 660/4885RAB9A 4019/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885RAB9A 4019/4885MAPT 420/4885

“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.