SCHEMBL12833747

SCHEMBL12833747

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccccc4CN4CCCCC4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 13/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TBK1 Q9UHD2 3/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL12833941 0.99 TRPV1 (0.41) TRPV1MEN1CYP1A2MAPTCYP2C9
SCHEMBL12833483 0.93 PDCD1 (0.41) HPGDTBK1HDAC6HDAC3HDAC1
SCHEMBL14531903 0.90 TRPV1 (0.44) TRPV1TBK1HDAC6
SCHEMBL12833945 0.87 WDR5 (0.39) MEN1CYP1A2MAPTCYP2C19KMT2A
SCHEMBL12833992 0.86 HDAC6 (0.46) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL12833808 0.85 PARP1 (0.49) MEN1KMT2A
SCHEMBL12833823 0.85 MAPT (0.46) MEN1CYP1A2MAPTCYP2C19KMT2A
SCHEMBL14090945 0.85 NPSR1 (0.47) MEN1MAPTKMT2ANPSR1HDAC6
SCHEMBL12833771 0.84 PRSS12 (0.46) MAPTHDAC6HDAC3HDAC1HDAC2
SCHEMBL14090718 0.83 MAPT (0.49) MEN1MAPTHPGDKMT2AHDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 TRPV1 967/4885MEN1 1879/4885CYP1A2 2206/4885

“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.

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