SCHEMBL1179441

SCHEMBL1179441

Fc1c(CNC2=NCCS2)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ CD38 P28907 1/20 0.40
▸ P2RX7 Q99572 8/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TSHR P16473 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
SCHEMBL1178751 0.86 KMT2A (0.46) KMT2AP2RX7
SCHEMBL1178940 0.81 POLB (0.39) NPC1POLBMAPTSMN1; SMN2MAPK1
SCHEMBL1178134 0.81 MAPT (0.48) KMT2ACD38P2RX7POLBMAPT
SCHEMBL1180626 0.81 POLB (0.39) KMT2ANPC1POLBMAPTSMN1; SMN2
SCHEMBL561197 0.74 LMNA (0.53) CD38P2RX7SMN1; SMN2
SCHEMBL4209923 0.72 LMNA (0.46) KMT2AP2RX7NPC1POLBMAPT
SCHEMBL1178846 0.72 ATM (0.49) KMT2AP2RX7POLBMAPTSMN1; SMN2
SCHEMBL11348223 0.72 MAPK1 (0.58) KMT2APOLBMAPTSMN1; SMN2MEN1
SCHEMBL11349161 0.72 APP (0.45) P2RX7NPC1MAPK1
SCHEMBL1178125 0.72 POLB (0.46) KMT2ANPC1POLBSMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
EP-2459542-B1 Substituted N-benzyl-4,5-dihydrooxazol-2-amines useful as selective alpha 2B/2C receptor agonists ALLERGAN INC (US) 2014-10-29 — — EP disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
US-8329918-B2 Selective alpha 2B/2C agonists ALLERGAN INC. (US) 2012-12-11 — — US disclosed
EP-2459542-A1 SELECTIVE ALPHA 2B/2C AGONISTS Allergan, Inc. (US) 2012-06-06 — — EP disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
US-20110028523-A1 Selective Alpha 2B/2C Agonists ALLERGAN, INC. (US) 2011-02-03 — — US disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — WO disclosed
WO-2011014332-A1 SELECTIVE ALPHA 2B/2C AGONISTS ALLERGAN, INC. (US) 2011-02-03 — — 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-20110028523-A1 Selective Alpha 2B/2C Agonists ADRA2C, ADRA2B, ADRB2 KMT2A 4074/4885CD38 1384/4885P2RX7 123/4885

“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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