SCHEMBL16601588

SCHEMBL16601588

Cc1nc(-c2ccc3c(c2)OCCO3)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 1.00
NPC1 O15118 14/20 1.00
ALDH1A1 P00352 10/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
HSD17B10 Q99714 2/20 0.83
MAPT P10636 10/20 0.68
TP53 P04637 1/20 0.68
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
TSHR P16473 1/20 0.56
LMNA P02545 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
GAA P10253 4/20 0.54
KDM4E B2RXH2 3/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
ESR2 Q92731 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
SCHEMBL13238168 0.91 SMN1; SMN2 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL19627009 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12895744 0.84 RAB9A (0.72) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7238213 0.83 RAB9A (0.97) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12987199 0.81 RAB9A (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13341087 0.81 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12923168 0.81 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL17702004 0.79 RAB9A (0.66) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12297233 0.77 RAB9A (0.83) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12297528 0.76 SMN1; SMN2 (0.93) RAB9ANPC1ALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 US disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 EP disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 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-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 RAB9A 2715/4885NPC1 1972/4885ALDH1A1 1505/4885

“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.