SCHEMBL12750359

SCHEMBL12750359

NCc1cccc(OCCCSc2n[nH]c(C(F)(F)F)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.43
▸ LMNA P02545 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
Hydrochloric Acid SCHEMBL688184 0.99 CYP2C19 (0.42) CYP2C19LMNAHTTPOLBL3MBTL1
SCHEMBL10289414 0.83 NPC1 (0.55) CYP2C19LMNAHTTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL689409 0.82 NPC1 (0.54) CYP2C19LMNAHTTPOLBL3MBTL1
SCHEMBL689356 0.82 HTT (0.41) CYP2C19LMNAHTTPOLBL3MBTL1
SCHEMBL12750381 0.80 ALPL (0.51) CYP2C19LMNAHTTNPC1MAPT
Hydrochloric Acid SCHEMBL689155 0.80 ALPL (0.50) CYP2C19LMNAHTTNPC1MAPT
SCHEMBL14136084 0.73 NPC1 (0.56) CYP2C19LMNAHTTPOLBL3MBTL1
SCHEMBL688556 0.72 RAB9A (0.46) CYP2C19LMNAHTTPOLBL3MBTL1
SCHEMBL12750145 0.70 HTT (0.44) LMNAHTTPOLBL3MBTL1NPC1
SCHEMBL687708 0.68 LMNA (0.45) LMNAHTTPOLBL3MBTL1NPC1

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-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 CYP2C19 636/4885LMNA 3074/4885HTT 3488/4885

“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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