SCHEMBL1980308

SCHEMBL1980308

CCCCCCn1c(=O)c(C(=O)NC(NC(=O)c2c(O)c3cccn3n(CCCCCC)c2=O)C(=O)O)c(O)c2cccn21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 3/20 0.42
TYMS P04818 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1976397 0.96 POLB (0.47) TDP1POLBMEN1KMT2AHTT
SCHEMBL1972746 0.84 MEN1 (0.47) TDP1POLBMEN1KMT2AHTT
SCHEMBL1987167 0.81 EGLN1 (0.42) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL1969780 0.80 POLB (0.51) TDP1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1965306 0.78 ALDH1A1 (0.64) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1967538 0.73 KDM4E (0.63) POLBMEN1KMT2AHTTSMN1; SMN2
SCHEMBL19406562 0.69 EGLN3 (0.41) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL1966102 0.67 KDM4E (0.43) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL9273857 0.67 MEN1 (0.76) TDP1POLBMEN1KMT2AHTT
SCHEMBL3761069 0.65 ALDH1A1 (0.51) POLBMEN1KMT2AHTTSMN1; SMN2

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 TDP1 3390/4885POLB 857/4885MEN1 3904/4885

“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.