SCHEMBL10097575

SCHEMBL10097575

CCn1c(-c2ccc(NC(=O)N(C)Cc3ccccc3)cc2)c(N)c2ccc(OCCOC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.40
S1PR3 Q99500 2/20 0.40
ROCK2 O75116 1/20 0.39
CYP2C9 P11712 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
EGFR P00533 2/20 0.38
CSF1R P07333 2/20 0.38
LIMK2 P53671 1/20 0.38
NPY5R Q15761 1/20 0.38
PDGFRB P09619 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
LMNA P02545 1/20 0.36
PLA2G2A P14555 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
SCHEMBL14467917 0.92 MTOR (0.40) MTORROCK2CYP2C9ROCK1CDC42BPA
SCHEMBL10096637 0.88 S1PR3 (0.39) MTORS1PR3ROCK2CYP2C9ROCK1
SCHEMBL10097504 0.86 RAB9A (0.37) S1PR3ROCK2PDGFRBTP53LMNA
SCHEMBL13151843 0.85 TP53 (0.45) S1PR3ROCK2TP53LMNA
SCHEMBL10097509 0.85 ROCK2 (0.38) S1PR3ROCK2PDGFRBATM
SCHEMBL10097535 0.84 FPR2 (0.45) S1PR3ROCK2ROCK1CSF1RCA12
SCHEMBL13151840 0.84 NPC1 (0.39) S1PR3PDGFRBTP53LMNA
SCHEMBL10097553 0.81 MTNR1B (0.40) MTORS1PR3LIMK2PDGFRBATM
SCHEMBL13151832 0.81 KCNQ2 (0.40) S1PR3PDGFRBTP53LMNA
SCHEMBL13151851 0.81 SMN1; SMN2 (0.41) EGFRPDGFRBTP53LMNA

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 MTOR 1626/4885S1PR3 1968/4885ROCK2 2887/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTOR 3526/4885S1PR3 2325/4885ROCK2 3333/4885

“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.