SCHEMBL10097282

SCHEMBL10097282

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 3/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CASR P41180 1/20 0.41
CNR1 P21554 2/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGAV P06756 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
MTNR1B P49286 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL13152112 0.95 PKM (0.46) MAPTSMN1; SMN2PKMHTTHSD17B10
SCHEMBL13151673 0.93 ITGB3 (0.47) MAPTSMN1; SMN2PKMHTTHSD17B10
SCHEMBL13152639 0.91 PKM (0.52) MAPTPKMHTTHSD17B10CASR
SCHEMBL10252373 0.91 MTNR1B (0.48) MAPTSMN1; SMN2PKMHTTHSD17B10
SCHEMBL10097283 0.91 TSHR (0.47) MAPTSMN1; SMN2PKMHTTHSD17B10
SCHEMBL10256105 0.90 MAPT (0.43) MAPTSMN1; SMN2HTTHSD17B10CASR
SCHEMBL10097787 0.89 GMPS (0.42) MAPTSMN1; SMN2HTTHSD17B10KMT2A
SCHEMBL10097669 0.89 FPR2 (0.52) MAPTPKMHTTCASRCNR1
SCHEMBL10095575 0.87 MAPT (0.46) MAPTSMN1; SMN2PKMHTTHSD17B10
SCHEMBL13152596 0.87 NTRK1 (0.41) MAPTSMN1; SMN2PKMHTTHSD17B10

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 3 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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 (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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885SMN1; SMN2 4565/4885PKM 4485/4885

“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.