SCHEMBL5240163

SCHEMBL5240163

Nc1nc(CC(=O)NCC2CCCCC2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ BACE1 P56817 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PTBP1 P26599 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MITF O75030 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MDM2 Q00987 1/20 0.41

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
SCHEMBL5875718 0.93 GABRA5 (0.54) GABRA5GABRB2HSD17B10NPC1RAB9A
SCHEMBL5240161 0.85 NPC1 (0.46) NPC1RAB9ABACE1ALDH1A1KDM4E
SCHEMBL5875715 0.77 KDM4E (0.42) GABRA5GABRB2HSD17B10NPC1RAB9A
SCHEMBL5875667 0.76 HSD17B10 (0.60) GABRA5GABRB2HSD17B10NPC1RAB9A
SCHEMBL10978725 0.76 GABRA5 (0.60) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL21875627 0.74 KDM4E (0.51) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL3612854 0.74 ALDH1A1 (0.56) NPC1ALDH1A1
SCHEMBL15549396 0.74 LMNA (0.46) GABRA5GABRB2HSD17B10NPC1RAB9A
SCHEMBL9670620 0.74 GABRA5 (0.66) GABRA5GABRB2HSD17B10ALDH1A1KDM4E
SCHEMBL7468153 0.73 ALDH1A1 (0.55) NPC1RAB9AALDH1A1KDM4EMAPT

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-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 — — EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 — — US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 — — 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-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R GABRA5 2369/4885GABRB2 2575/4885HSD17B10 3182/4885

“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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