SCHEMBL5495438

SCHEMBL5495438

Cn1cc(C(=O)O)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.38
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DDO Q99489 1/20 0.36
CREBBP Q92793 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35

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
SCHEMBL5158008 0.80 CA12 (0.41) TPMTKMT2AKDM4ELMNAMEN1
SCHEMBL6438124 0.76 TPMT (0.44) TPMTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL2783116 0.76 CYP2C9 (0.54) TPMTKMT2AKDM4EMEN1CREBBP
SCHEMBL18348294 0.74 TTR (0.40) TPMTKMT2AMEN1ALDH1A1CREBBP
SCHEMBL31352250 0.74 TPMT (0.38) TPMTKMT2ALMNAMEN1CREBBP
SCHEMBL34469990 0.74 TPMT (0.41) TPMTKMT2AMEN1CREBBPL3MBTL1
SCHEMBL10941908 0.74 TPMT (0.43) TPMTKMT2AMEN1CREBBPL3MBTL1
SCHEMBL16418932 0.72 RXRA (0.39) TPMTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL29092189 0.71 BRD4 (0.43) KMT2AKDM4EMEN1ALDH1A1CREBBP
SCHEMBL5154198 0.71 CA1 (0.42) TPMTKDM4ELMNATSHRCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 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 (1 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 TPMT 3305/4885KMT2A 1179/4885KDM4E 756/4885

“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.