SCHEMBL10097669

SCHEMBL10097669

CCn1c(-c2cccc(NC(=O)NCCc3ccccc3)c2)c(N)c2ccc(OC)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.52
KMT2A Q03164 6/20 0.52
HTT P42858 1/20 0.49
MEN1 O00255 5/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 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
SCHEMBL10252498 0.91 FPR2 (0.53) FPR2KMT2AHTTMEN1MAPT
SCHEMBL13151673 0.90 ITGB3 (0.47) KMT2AHTTMEN1PKMMAPT
SCHEMBL13152639 0.89 PKM (0.52) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL10097282 0.89 MAPT (0.48) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL10252373 0.89 MTNR1B (0.48) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL10097283 0.88 TSHR (0.47) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL13152291 0.88 ITGB3 (0.47) FPR2KMT2AHTTMEN1ALDH1A1
SCHEMBL10095570 0.88 KMT2A (0.49) FPR2KMT2AHTTMEN1ALDH1A1
SCHEMBL13152112 0.87 PKM (0.46) KMT2AHTTMEN1ALDH1A1PKM
SCHEMBL10097305 0.85 CDK8 (0.50) KMT2AMEN1ALDH1A1MAPTNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS FPR2 1314/4885KMT2A 3974/4885HTT 3355/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP FPR2 2739/4885KMT2A 4114/4885HTT 4273/4885

“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.