SCHEMBL6097414

SCHEMBL6097414

OCCC1CCCCN1C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 3/20 0.42
ALPL P05186 3/20 0.42
KMT2A Q03164 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
ALPI P09923 2/20 0.40
ALPG P10696 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL6093822 0.88 KMT2A (0.46) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6095523 0.88 KMT2A (0.46) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6094061 0.77 HCRTR1 (0.44) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6094070 0.77 HCRTR1 (0.44) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6094708 0.75 HCRTR1 (0.47) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6094718 0.75 HCRTR1 (0.47) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL377140 0.74 GAA (0.44) MAPK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL377139 0.74 GAA (0.44) MAPK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL6092577 0.74 PDE10A (0.45) HTTMAPK1ALPLKMT2ACYP2D6
SCHEMBL6095420 0.73 LMNA (0.45) MAPK1ALPLKMT2ACYP2D6CYP2C9

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 7 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
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 WO 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 AKR1C3 3227/4885HTT 3180/4885MAPK1 4322/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 AKR1C3 3227/4885HTT 3180/4885MAPK1 4322/4885

“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.