SCHEMBL10097521

SCHEMBL10097521

CCn1c(-c2ccc(NC(=O)N(CCOC)CCOC)cc2)c(N)c2ccc(OCCCCl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTT P42858 3/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 4/20 0.33
TSHR P16473 1/20 0.33
PDGFRB P09619 2/20 0.33
PFKFB2 O60825 1/20 0.33
NSD2 O96028 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
AS3MT Q9HBK9 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL10097509 0.94 ROCK2 (0.38) ROCK2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10097504 0.88 RAB9A (0.37) ROCK2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10096631 0.88 PFKFB2 (0.38) ROCK2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10097426 0.87 NPC1 (0.36) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13198726 0.85 PFKFB2 (0.36) ROCK2KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL10097413 0.83 NPC1 (0.39) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13152851 0.83 TP53 (0.38) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL10097429 0.82 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2NPC1RAB9AHTT
SCHEMBL10097405 0.82 RAB9A (0.44) KMT2ASMN1; SMN2NPC1RAB9AHTT
SCHEMBL13151840 0.82 NPC1 (0.39) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ROCK2 2887/4885KMT2A 4464/4885SMN1; SMN2 3609/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP ROCK2 3333/4885KMT2A 4114/4885SMN1; SMN2 4565/4885

“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.