SCHEMBL6094070

SCHEMBL6094070

NC(=O)C1CCCN1C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 5/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIN1 Q13526 1/20 0.42
MAPK1 P28482 2/20 0.42
ALPL P05186 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 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
SCHEMBL6094061 1.00 HCRTR1 (0.44) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6094718 0.87 HCRTR1 (0.47) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6094708 0.87 HCRTR1 (0.47) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6095420 0.85 LMNA (0.45) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6093822 0.82 KMT2A (0.46) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6095523 0.82 KMT2A (0.46) HCRTR1HCRTR2LMNASMN1; SMN2TP53
SCHEMBL6097414 0.77 AKR1C3 (0.44) LMNASMN1; SMN2TP53MAPK1ALPL
SCHEMBL7238632 0.76 LMNA (0.46) HCRTR1HCRTR2LMNASMN1; SMN2PIN1
SCHEMBL6095618 0.74 CACNA1G (0.43) LMNASMN1; SMN2TP53PIN1MAPK1
SCHEMBL6092577 0.74 PDE10A (0.45) LMNASMN1; SMN2TP53MAPK1ALPL

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 HCRTR1 3510/4885HCRTR2 3961/4885LMNA 2346/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HCRTR1 3510/4885HCRTR2 3961/4885LMNA 2346/4885

“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.