SCHEMBL6094708

SCHEMBL6094708

COC(=O)[C@@H]1CCCN1C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.47
HCRTR2 O43614 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALOX12 P18054 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
SCHEMBL6094718 1.00 HCRTR1 (0.47) HCRTR1HCRTR2SMN1; SMN2LMNAHSD17B10
SCHEMBL6095420 0.89 LMNA (0.45) HCRTR1HCRTR2SMN1; SMN2LMNAHSD17B10
SCHEMBL6094061 0.87 HCRTR1 (0.44) HCRTR1HCRTR2SMN1; SMN2LMNAHSD17B10
SCHEMBL6094070 0.87 HCRTR1 (0.44) HCRTR1HCRTR2SMN1; SMN2LMNAHSD17B10
SCHEMBL6093822 0.79 KMT2A (0.46) HCRTR1HCRTR2SMN1; SMN2LMNAMAPT
SCHEMBL6095523 0.79 KMT2A (0.46) HCRTR1HCRTR2SMN1; SMN2LMNAMAPT
SCHEMBL6097414 0.75 AKR1C3 (0.44) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL6094478 0.74 LMNA (0.49) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL7238632 0.74 LMNA (0.46) HCRTR1HCRTR2SMN1; SMN2LMNAALDH1A1
SCHEMBL7700917 0.72 DRD4 (0.43) HCRTR1HCRTR2SMN1; SMN2LMNAHSD17B10

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 5 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

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 3961/4885SMN1; SMN2 1189/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 HCRTR1 3510/4885HCRTR2 3961/4885SMN1; SMN2 1189/4885

“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.