SCHEMBL1965400

SCHEMBL1965400

CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)n1cccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NR1D1 P20393 2/20 0.39
NR1H3 Q13133 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MT-CO2 P00403 1/20 0.38
CYP3A4 P08684 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL1964950 0.87 AKT1 (0.46) HTTRAB9AHDAC3HDAC1HDAC2
SCHEMBL1966131 0.86 KDM1A (0.42) NR1D1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1965890 0.86 RIPK1 (0.47) KMT2AKDM4ESMN1; SMN2
SCHEMBL1965931 0.85 L3MBTL1 (0.43) GAANR1D1HTTALDH1A1MEN1
SCHEMBL1966228 0.84 MEN1 (0.41) ALDH1A1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1966140 0.81 NPC1 (0.39) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL1965084 0.81 CTSB (0.40) HDAC3HDAC1HDAC2MEN1KMT2A
SCHEMBL1965544 0.78 RIPK1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL30264860 0.77 ALDH1A1 (0.57) GAANR1D1NR1H3HTTALDH1A1
SCHEMBL16971619 0.77 ALDH1A1 (0.45) GAANR1D1NR1H3HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334682-B1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN INC (US) 2017-10-04 EP disclosed
US-8217043-B2 Compounds and methods for their use FIBROGEN, INC. (US) 2012-07-10 US disclosed
EP-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed
US-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE FIBROGEN, INC. 2010-02-25 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-20100047367-A1 COMPOUNDS AND METHODS FOR THEIR USE HIF1AN, HIF1A, EGLN3 GAA 122/4885NR1D1 1643/4885NR1H3 723/4885

“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.