SCHEMBL13158929

SCHEMBL13158929

O=c1nc(Nc2ccccc2)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 1.00
▸ NPC1 O15118 5/20 1.00
▸ ALDH1A1 P00352 6/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ ELANE P08246 2/20 0.59
▸ KDM4E B2RXH2 7/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL7694048 0.83 NPC1 (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL7694055 0.78 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL5963788 0.76 RAB9A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL2658434 0.75 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL3452604 0.75 ELANE (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL2882726 0.74 NPC1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
Diphenylamine SCHEMBL20607005 0.72 HSD17B10 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL4029088 0.72 ELANE (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
SCHEMBL30025603 0.72 ELANE (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2PKM
Acetic Acid SCHEMBL7433376 0.71 NPC1 (0.81) RAB9ANPC1ALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — US disclosed
US-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-09-16 — — 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-20100234363-A1 HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 RAB9A 3782/4885NPC1 1639/4885ALDH1A1 165/4885

“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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