SCHEMBL4428302

SCHEMBL4428302

Nc1cc2cc3sc(N)cc3cc2s1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.50
CA2 P00918 1/20 0.30
CYP2A6 P11509 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4424142 0.91 BACE1 (0.48) BACE1
SCHEMBL20366409 0.87 BACE1 (0.42) BACE1
SCHEMBL22993520 0.85 BACE1 (0.46) BACE1ALDH1A1TP53CYP3A4TSHR
SCHEMBL17934649 0.85 BACE1 (0.50) BACE1CA2CYP2A6ASIC3LOXL2
SCHEMBL4424842 0.82 BACE1 (0.43) BACE1CA2CYP2A6ASIC3LOXL2
SCHEMBL18407859 0.82 BACE1 (0.43) BACE1ALDH1A1TP53CYP3A4TSHR
SCHEMBL4431189 0.78 EHMT2 (0.43) BACE1
SCHEMBL4423886 0.78 BACE1 (0.37) BACE1
SCHEMBL4429384 0.77 BACE1 (0.40) BACE1CA2CYP2A6CYP3A4
SCHEMBL4421227 0.77 GPR84 (0.42) BACE1CA2CYP2A6

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-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
WO-2017089952-A1 DEGRADABLE CONJUGATED POLYMERS The Board of Trustees of the Leland Stanford Junior University Office of the General Counsel (US) 2017-06-01 WO disclosed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 BACE1 3534/4885CA2 1520/4885CYP2A6 405/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 BACE1 3534/4885CA2 1520/4885CYP2A6 405/4885

“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.