SCHEMBL10097294

SCHEMBL10097294

CCn1c(C#Cc2ccc(NC(=O)NCCCl)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CNR1 P21554 3/20 0.38
FPR2 P25090 3/20 0.38
MTNR1B P49286 1/20 0.38
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL10097671 0.91 SMN1; SMN2 (0.45) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL979508 0.88 MAPT (0.40) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13152055 0.85 MTNR1A (0.46) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10097656 0.85 PFKFB2 (0.48) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13153378 0.84 NPC1 (0.42) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10256105 0.84 MAPT (0.43) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10097607 0.84 MTNR1A (0.46) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13152172 0.84 MAPT (0.44) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10249955 0.82 MTNR1A (0.46) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10252481 0.81 MTNR1B (0.45) MAPTSMN1; SMN2MEN1KMT2ANPC1

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 13 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (6 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MAPT 3547/4885SMN1; SMN2 4206/4885MEN1 4825/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885SMN1; SMN2 4525/4885MEN1 4815/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885SMN1; SMN2 3609/4885MEN1 4800/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885SMN1; SMN2 3609/4885MEN1 4800/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885SMN1; SMN2 3609/4885MEN1 4800/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MAPT 4044/4885SMN1; SMN2 4565/4885MEN1 4860/4885

“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.