SCHEMBL5240161

SCHEMBL5240161

NC(=O)c1nc(CC(=O)NCC2CCCCC2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ RECQL P46063 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38

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
SCHEMBL5875715 0.94 KDM4E (0.42) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5240163 0.85 GABRA5 (0.50) NPC1RAB9AALDH1A1MAPTPTBP1
SCHEMBL15549157 0.80 HTR6 (0.39) NPC1RAB9AALDH1A1CNR1SMN1; SMN2
SCHEMBL5875718 0.78 GABRA5 (0.54) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL5875662 0.77 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL17709961 0.76 HTR6 (0.35) NPC1RAB9AALDH1A1CNR1SMN1; SMN2
SCHEMBL5240157 0.75 BACE1 (0.39) NPC1RAB9AALDH1A1MAPTBACE1
SCHEMBL5244525 0.75 HPGD (0.43) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL3612854 0.72 ALDH1A1 (0.56) NPC1ALDH1A1POLB
SCHEMBL17709924 0.72 HPGD (0.39) NPC1RAB9ACNR1SMN1; 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
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 NPC1 3511/4885RAB9A 3777/4885ALDH1A1 4556/4885

“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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