SCHEMBL14090271

SCHEMBL14090271

Cc1cccc2nc(-c3cc(-c4ccc(C(C)C)cc4)ccc3O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 5/20 0.42
▸ GAA P10253 5/20 0.42
▸ SI P14410 5/20 0.42
▸ MGAM2 Q2M2H8 5/20 0.42
▸ AMY1A P0DUB6 1/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GUSB P08236 2/20 0.37
▸ CASR P41180 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL14090249 0.88 MGAM (0.45) MGAMGAASIMGAM2AMY1A
SCHEMBL14090216 0.86 MGAM (0.43) MGAMGAASIMGAM2AMY1A
SCHEMBL14090224 0.85 ESR2 (0.51) MGAMGAASIMGAM2AMY1A
SCHEMBL14090207 0.84 AURKA (0.43) MGAMGAASIMGAM2AMY1A
SCHEMBL14090256 0.81 GUSB (0.43) MGAMGAASIMGAM2AMY1A
SCHEMBL14090241 0.79 NPC1 (0.46) MGAMGAASIMGAM2AMY1A
SCHEMBL14090385 0.78 MGAM (0.41) MGAMGAASIMGAM2AMY1A
SCHEMBL14090312 0.76 MGAM (0.45) MGAMGAASIMGAM2AMY1A
SCHEMBL13405982 0.76 GAA (0.60) MGAMGAASIMGAM2NPC1
SCHEMBL14090229 0.75 LOXL2 (0.43) MGAMGAASIMGAM2AMY1A

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-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
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 MGAM 3465/4885GAA 1581/4885SI 4750/4885

“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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