SCHEMBL2618802

SCHEMBL2618802

CNC(=O)c1cc(C2CC2)on1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.64
TSHR P16473 1/20 0.64
SMYD3 Q9H7B4 10/20 0.60
STAT1 P42224 2/20 0.59
STAT3 P40763 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CASP3 P42574 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL22518513 0.83 RAB9A (0.63) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL13835610 0.80 RAB9A (0.56) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL11721317 0.80 RAB9A (0.60) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL11721595 0.80 RAB9A (0.57) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL28856869 0.80 S1PR3 (0.58) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL20305303 0.79 SMN1; SMN2 (0.65) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL19064412 0.79 RAB9A (0.60) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL13835269 0.79 RAB9A (0.64) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL841342 0.78 S1PR3 (0.57) RAB9ANPC1TSHRSMYD3STAT1
SCHEMBL23976629 0.78 HIF1A (0.59) RAB9ANPC1TSHRSMYD3STAT1

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
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 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 (2 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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 RAB9A 3337/4885NPC1 100/4885TSHR 4173/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 RAB9A 705/4885NPC1 3842/4885TSHR 3513/4885

“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.