SCHEMBL14090229

SCHEMBL14090229

COc1ncccc1-c1ccc(O)c(-c2nc3cccc(C)c3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ MGAM O43451 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ SI P14410 3/20 0.43
▸ MGAM2 Q2M2H8 3/20 0.43
▸ DHODH Q02127 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ GUSB P08236 1/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL14090385 0.87 MGAM (0.41) MGAMGAASIMGAM2GUSB
SCHEMBL14090241 0.85 NPC1 (0.46) MGAMGAASIMGAM2DHODH
SCHEMBL14091681 0.84 DHODH (0.44) LOXL2MGAMGAASIMGAM2
SCHEMBL1509467 0.82 DHFR (0.43) LOXL2DHODHCARM1NPC1ALDH1A1
SCHEMBL14090216 0.81 MGAM (0.43) MGAMGAASIMGAM2GUSB
SCHEMBL12834306 0.80 LOXL2 (0.36) LOXL2DHODHCARM1ALOX5APFFAR4
SCHEMBL14091560 0.79 LOXL2 (0.44) LOXL2MGAMGAASIMGAM2
SCHEMBL14090249 0.79 MGAM (0.45) MGAMGAASIMGAM2GUSB
SCHEMBL14090256 0.78 GUSB (0.43) MGAMGAASIMGAM2GUSB
SCHEMBL14090228 0.78 PDE5A (0.60) LOXL2MGAMGAASIMGAM2

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 LOXL2 1125/4885MGAM 3465/4885GAA 1581/4885

“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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