SCHEMBL6093822

SCHEMBL6093822

OCC1CCCN1C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALPL P05186 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
ALPI P09923 2/20 0.45
ALPG P10696 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDE10A Q9Y233 2/20 0.43
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL6095523 1.00 KMT2A (0.46) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6097414 0.88 AKR1C3 (0.44) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL377140 0.85 GAA (0.44) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL377139 0.85 GAA (0.44) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6094070 0.82 HCRTR1 (0.44) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6094061 0.82 HCRTR1 (0.44) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6092577 0.81 PDE10A (0.45) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6094708 0.79 HCRTR1 (0.47) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6094718 0.79 HCRTR1 (0.47) KMT2AMAPK1CYP2D6CYP2C9CYP2C19
SCHEMBL6095420 0.78 LMNA (0.45) KMT2AMAPK1CYP2D6CYP2C9CYP2C19

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 KMT2A 1041/4885MAPK1 4322/4885CYP2D6 1503/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 KMT2A 1041/4885MAPK1 4322/4885CYP2D6 1503/4885

“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.