SCHEMBL10025567

SCHEMBL10025567

Cc1nc2ccc3c(c2n1C)CCO3

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
EED O75530 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
DPP4 P27487 1/20 0.35
KIF11 P52732 1/20 0.35
SLC9A1 P19634 2/20 0.34
SUZ12 Q15022 2/20 0.34
EZH2 Q15910 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL10025568 0.76 ALDH1A1 (0.40) ALDH1A1CYP1A2DPP4KDM4ELMNA
SCHEMBL21315670 0.69 MTNR1A (0.68) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL19776415 0.68 ALDH1A1 (0.40) MTNR1AMTNR1BALDH1A1CYP1A2
SCHEMBL21315651 0.67 MTNR1A (0.69) MTNR1AMTNR1BEEDSUZ12EZH2
SCHEMBL2733814 0.67 PARP1 (0.41) MTNR1AMTNR1BEEDSUZ12EZH2
SCHEMBL19775896 0.67 MAPT (0.47) MTNR1AMTNR1BEEDALDH1A1CYP1A2
SCHEMBL12438628 0.67 MTNR1A (0.40) MTNR1AMTNR1BEEDALDH1A1CYP1A2
SCHEMBL18133624 0.66 DPP4 (0.42) ALDH1A1DPP4KDM4ELMNAMAPT
SCHEMBL13541836 0.65 DPP4 (0.41) ALDH1A1DPP4KDM4ELMNAMAPT
SCHEMBL8081108 0.63 MAP3K14 (0.47) MTNR1AMTNR1BKIF11SLC9A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 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 (1 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L MTNR1A 2498/4885MTNR1B 2737/4885EED 3042/4885

“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.