SCHEMBL1514632

SCHEMBL1514632

O=C(O)CCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HPGD P15428 1/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ GSTO1 P78417 1/20 0.63
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ CSNK2A1 P68400 3/20 0.58
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57

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
SCHEMBL7256703 0.90 RAB9A (0.70) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24026399 0.85 RAB9A (0.74) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30581066 0.84 RAB9A (0.78) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7253225 0.82 RAB9A (0.70) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21484720 0.82 ABL1 (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8230787 0.80 HDAC1 (0.64) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5849033 0.80 MAPK1 (0.79) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7239062 0.78 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7239525 0.78 RAB9A (0.86) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19497773 0.78 GSTO1 (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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
US-7902144-B2 Carrier-molecule-affinitive substance which has an association constant KA relative to a carrier molecule greater than 103 M-1 via a noncovalent bond KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2011-03-08 — — US disclosed
EP-1272223-B1 THERAPEUTIC AND DIAGNOSTIC LIGAND SYSTEMS COMPRISING TRANSPORT MOLECULE BINDING PROPERTIES AND MEDICAMENTS CONTAINING THE SAME KTB TUMORFORSCHUNGS GMBH (DE) 2006-05-31 — — EP disclosed
US-20030185793-A1 Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same Vergell Medical S.A. (CH) 2003-10-02 — — 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-20030185793-A1 Therapeutic and diagnostic ligand systems comprising transport molecule binding properties and medicaments containing the same SLCO1B1, SLCO1B3, SLCO1A2 RAB9A 3897/4885NPC1 268/4885ALDH1A1 1054/4885

“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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