SCHEMBL3737263

SCHEMBL3737263

Nc1nnc(COc2ccc(F)cc2C(F)(F)F)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 1/20 0.50
IDO1 P14902 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
POLB P06746 3/20 0.40
MAPK1 P28482 1/20 0.40
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL3729134 0.85 MAPT (0.57) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3729659 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3728504 0.81 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3728220 0.78 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3727611 0.78 MAPT (0.55) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3723669 0.77 IDO1 (0.51) LMNAPKMHSD17B10ALDH1A1HPGD
SCHEMBL3726140 0.75 LMNA (0.62) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3736372 0.75 MAPT (0.61) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3733443 0.74 RAB9A (0.61) RAB9ANPC1SMN1; SMN2LMNAPKM
SCHEMBL3729506 0.73 LMNA (0.62) RAB9ANPC1SMN1; SMN2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 RAB9A 3330/4885NPC1 416/4885SMN1; SMN2 2732/4885

“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.