SCHEMBL3874448

SCHEMBL3874448

CCNc1cc(C)c(N)c2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
UTS2R Q9UKP6 3/20 0.43
KIF11 P52732 1/20 0.40
PARP1 P09874 2/20 0.39
ABCB1 P08183 1/20 0.37
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36

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
SCHEMBL3881304 0.89 MAPT (0.45) MAPTMEN1KMT2AUTS2RKIF11
SCHEMBL3874903 0.87 TERT (0.43) MAPTMEN1KMT2AUTS2RKIF11
SCHEMBL3881291 0.85 KDM4E (0.46) MAPTMEN1KMT2AUTS2RALDH1A1
SCHEMBL3881403 0.79 UTS2R (0.46) MAPTMEN1KMT2AUTS2RGABRP
SCHEMBL3874893 0.78 MEN1 (0.54) MAPTMEN1KMT2AKIF11PARP1
SCHEMBL3874451 0.78 TERT (0.43) MAPTMEN1KMT2AUTS2RKIF11
SCHEMBL3990873 0.76 UTS2R (0.46) MAPTMEN1KMT2AUTS2RGABRP
SCHEMBL3878129 0.76 KDM4E (0.46) MAPTMEN1KMT2AUTS2RALDH1A1
SCHEMBL3875398 0.72 MEN1 (0.54) MAPTMEN1KMT2AKIF11PARP1
SCHEMBL3876731 0.72 MEN1 (0.44) MAPTMEN1KMT2AKIF11PARP1

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 MAPT 420/4885MEN1 4857/4885KMT2A 1681/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885MEN1 4857/4885KMT2A 1681/4885

“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.