SCHEMBL10178348

SCHEMBL10178348

CNC(=N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(C)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.61
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL13348782 0.92 F10 (0.61) F10RAB9ANPC1PKMKMT2A
SCHEMBL890659 0.88 F10 (0.78) F10RAB9ANPC1KMT2AMEN1
SCHEMBL13348794 0.88 F10 (0.62) F10RAB9ANPC1PKMKMT2A
SCHEMBL10179737 0.86 NPC1 (0.51) F10RAB9ANPC1PKMKMT2A
SCHEMBL10178141 0.81 F10 (0.65) F10RAB9ANPC1KDM4ETP53
SCHEMBL890909 0.79 F10 (0.76) F10RAB9ANPC1KMT2AMEN1
SCHEMBL10181011 0.77 NPC1 (0.52) F10RAB9ANPC1PKMKMT2A
SCHEMBL12134452 0.77 KDM4E (0.62) F10RAB9ANPC1KDM4ETP53
SCHEMBL12134527 0.77 F10 (0.62) F10RAB9ANPC1PKMKDM4E
SCHEMBL12133048 0.76 F10 (0.62) F10SMN1; SMN2TDP1

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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-7314874-B2 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide;modified amidine elements of high potency in vitro, excellent pharmacological and pharmaceutical properties in vivo MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-01-01 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-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885RAB9A 2674/4885NPC1 2184/4885

“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.