SCHEMBL6092572

SCHEMBL6092572

OCC1CCCN(Cc2nc3ccccc3n2Cc2nc3ccccc3[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6882898 0.87 DRD4 (0.48) HTTCYP2D6ALDH1A1GRIN1GRIN2B
SCHEMBL7238628 0.85 ALDH1A1 (0.47) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6095517 0.82 KCNH2 (0.48) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6093816 0.82 KCNH2 (0.48) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6094476 0.81 HTT (0.43) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6094056 0.76 POLB (0.43) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6097411 0.76 HTT (0.46) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6095609 0.75 HTT (0.49) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6095070 0.75 MEN1 (0.62) HTTCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL6094701 0.74 DRD4 (0.43) HTTALDH1A1LMNAADRA1ADRD4

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-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US claimed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US claimed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HTT 3180/4885CYP2D6 1503/4885CYP1A2 2306/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HTT 3180/4885CYP2D6 1503/4885CYP1A2 2306/4885

“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.