SCHEMBL1772805

SCHEMBL1772805

Clc1cc(-c2cscn2)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.38
METAP1 P53582 4/20 0.38
SCN9A Q15858 1/20 0.38
CHEK2 O96017 1/20 0.37
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
KDM5C P41229 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KMO O15229 3/20 0.34
KAT6A Q92794 1/20 0.34
PARP1 P09874 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RORC P51449 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHB4 P54760 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL15943367 0.85 AHR (0.48) KMOKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6512405 0.81 ESR2 (0.46) METAP2METAP1CHEK2KDM4AKDM4B
SCHEMBL4524262 0.81 KMO (0.47) METAP2METAP1SCN9ACHEK2KMO
SCHEMBL14754382 0.77 KMO (0.47) METAP2METAP1SCN9ACHEK2KDM4A
SCHEMBL15384396 0.77 KMO (0.50) SCN9AKMOMAPTL3MBTL1MEN1
SCHEMBL26260183 0.75 CYP1A2 (0.43) METAP2METAP1SCN9ACHEK2KDM4A
SCHEMBL679357 0.75 METAP2 (0.46) METAP2METAP1KDM4EMAPTNPC1
SCHEMBL6516629 0.74 P2RX7 (0.41) CHEK2KDM4AKDM4BKDM5CKDM5B
SCHEMBL28200395 0.74 CHEK2 (0.38) METAP2METAP1SCN9ACHEK2KDM4A
SCHEMBL4521043 0.74 IDO1 (0.50) METAP2METAP1SCN9ACHEK2KDM4A

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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 WO disclosed
EP-2107054-A1 Antiproliferative compounds and therapeutic uses thereof Università Degli Studi Di Milano - Bicocca (IT) 2009-10-07 EP 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR METAP2 2913/4885METAP1 2248/4885SCN9A 4651/4885

“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.