SCHEMBL5476584

SCHEMBL5476584

CN(Cc1ccccc1)C(=O)Cn1c(N)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ CXCR3 P49682 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ F2R P25116 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5452572 0.82 F2R (0.53) MAPTCYP1A2CYP2D6HTTF2R
SCHEMBL5465812 0.75 POLB (0.58) CYP1A2CYP2D6HTTPOLBKMT2A
SCHEMBL5447984 0.73 POLB (0.58) KDM4ECYP1A2CYP2D6HTTF2R
SCHEMBL5468418 0.72 POLB (0.55) ALDH1A1KDM4ECYP1A2CYP2D6HTT
SCHEMBL5460813 0.72 CXCR4 (0.60) CYP1A2CYP2D6HTTPKMPOLB
SCHEMBL17824311 0.72 PTGDR2 (0.54) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL939417 0.72 TNF (0.79) ALDH1A1KDM4EMAPTCYP1A2CYP2D6
SCHEMBL17329330 0.72 MMP2 (0.67) KDM4ECYP1A2CYP2D6HTTNPC1
SCHEMBL11715808 0.70 CXCR4 (0.72) KDM4EMAPTCYP1A2CYP2D6HTT
SCHEMBL14373374 0.70 CXCR3 (0.85) TSPOALDH1A1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — 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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 TSPO 632/4885ALDH1A1 39/4885KDM4E 2704/4885

“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.

Send feedback