SCHEMBL10097535

SCHEMBL10097535

CCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(N)c2ccc(OCCOC)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.45
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 1/20 0.44
CSF1R P07333 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK1 P28482 1/20 0.42
S1PR3 Q99500 1/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
EPHX1 P07099 1/20 0.41
BRD4 O60885 1/20 0.40
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10097381 0.92 KMT2A (0.53) FPR2CA2CA12CA1CA9
SCHEMBL10252498 0.91 FPR2 (0.53) FPR2CA2CA12CA1CA9
SCHEMBL10096682 0.88 FPR2 (0.43) FPR2CA2CA12CA1CA9
SCHEMBL10097553 0.88 MTNR1B (0.40) KMT2AMAPK1S1PR3BRD4NPC1
SCHEMBL13151843 0.85 TP53 (0.45) ROCK2S1PR3POLBTP53BRD4
SCHEMBL10097693 0.85 KMT2A (0.52) FPR2CA2CA12CA1CA9
SCHEMBL10097331 0.84 FPR2 (0.52) FPR2CA2CA12CA1CA9
SCHEMBL10097427 0.84 KMT2A (0.52) FPR2CA2CA12CA1CA9
SCHEMBL10097575 0.84 MTOR (0.40) CA2CA12CA1CA9CSF1R
SCHEMBL13151840 0.84 NPC1 (0.39) KMT2AS1PR3TP53NPC1RAB9A

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-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
WO-2007084413-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 (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 FPR2 2208/4885CA2 1877/4885CA12 875/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP FPR2 2739/4885CA2 3704/4885CA12 2269/4885

“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.