SCHEMBL4338636

SCHEMBL4338636

Cc1n[nH]cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
ALPL P05186 4/20 0.42
CRHR1 P34998 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
AHR P35869 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8746755 0.82 MAPT (0.49) HSD11B1ALPLCRHR1HSP90AA1HSP90AB1
SCHEMBL5872525 0.80 HSP90AA1 (0.45) HSD11B1ALPLHSP90AA1HSP90AB1KMT2A
SCHEMBL12554990 0.78 KMT2A (0.49) HSD11B1ALPLPOLBKMT2A
SCHEMBL24962591 0.76 IKBKB (0.41) KMT2A
SCHEMBL27082554 0.74 JAK2 (0.56) ALPLDPP4DPP8
SCHEMBL5488856 0.74 CRHR1 (0.45) HSD11B1ALPLCRHR1HSP90AA1HSP90AB1
SCHEMBL955251 0.74 MAPT (0.52) ALPLPOLBKMT2AKDM4EDPP4
SCHEMBL953237 0.73 ALPL (0.52) ALPLKDM4E
SCHEMBL29624840 0.73 AHR (0.64) HSD11B1CRHR1HSP90AA1HSP90AB1KDM4E
SCHEMBL464507 0.73 AHR (0.64) HSD11B1CRHR1HSP90AA1HSP90AB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
EP-1587473-A4 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
EP-1587473-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2005-10-26 EP disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 US disclosed
WO-2004060308-A2 THIOSEMICARBAZONES AS ANTI-VIRALS AND IMMUNOPOTENTIATORS CHIRON CORPORATION (US) 2004-07-22 WO 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HSD11B1 2564/4885ALPL 2901/4885CRHR1 4294/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HSD11B1 2621/4885ALPL 3100/4885CRHR1 4255/4885

“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.