SCHEMBL3741920

SCHEMBL3741920

F[C](F)c1cc2scnc2cc1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.38
RAB9A P51151 8/20 0.38
KDM4E B2RXH2 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTK6 Q13882 2/20 0.33
EGFR P00533 1/20 0.33
DYRK1A Q13627 1/20 0.33
DAO P14920 1/20 0.32
POLB P06746 1/20 0.31
CCKBR P32239 1/20 0.31
GFER P55789 1/20 0.31
HSD11B1 P28845 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL3735091 0.93 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL28840648 0.77 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL29851968 0.77 NPC1 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL29703396 0.76 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL22366924 0.76 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL4074223 0.72 NPC1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30089784 0.72 ALDH1A1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL30490167 0.72 ALDH1A1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL720130 0.72 ALDH1A1 (0.38) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL4296143 0.71 ALDH1A1 (0.52) NPC1RAB9AKDM4EHKDC1TDP1

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-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 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 (2 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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 NPC1 1382/4885RAB9A 2896/4885KDM4E 2075/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 NPC1 1382/4885RAB9A 2896/4885KDM4E 2075/4885

“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.