SCHEMBL975660

SCHEMBL975660

Nc1nnc(-c2ccc(C3(c4ccc(OCc5ccccn5)cc4)CCCCC3)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ PARP10 Q53GL7 1/20 0.40
▸ NOTUM Q6P988 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GPR119 Q8TDV5 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
SCHEMBL977680 0.82 MAPK14 (0.47) KDM4EPARP10ALDH1A1SMN1; SMN2HPGD
SCHEMBL2252020 0.81 KDM4E (0.46) KDM4EHSD17B10PARP10NOTUMALDH1A1
SCHEMBL2246150 0.80 KDM4E (0.47) KDM4EHSD17B10PARP10NOTUMALDH1A1
SCHEMBL978001 0.80 MEN1 (0.45) KDM4EPARP10NOTUMALDH1A1SMN1; SMN2
SCHEMBL976155 0.79 MAPK14 (0.47) KDM4EPARP10ALDH1A1SMN1; SMN2HPGD
SCHEMBL974436 0.78 ALOX5AP (0.57) KDM4EHSD17B10ALOX5AP
SCHEMBL12920623 0.78 ALOX5AP (0.57) KDM4EHSD17B10ALOX5AP
SCHEMBL2245351 0.78 KDM4E (0.45) KDM4EHSD17B10PARP10NOTUMALDH1A1
SCHEMBL2251852 0.78 KDM4E (0.46) KDM4EHSD17B10PARP10NOTUMALDH1A1
SCHEMBL975773 0.77 CYP1A2 (0.47) KDM4EPARP10ALDH1A1SMN1; SMN2HPGD

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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 — — US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 — — 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 (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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S KDM4E 3639/4885HSD17B10 508/4885PARP10 567/4885

“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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