SCHEMBL3725348

SCHEMBL3725348

COC(=O)c1c(O)c2cc3ccc(C(F)(F)F)cc3n2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CCR2 P41597 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
GCGR P47871 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3723620 0.85 KMT2A (0.43) SMN1; SMN2MAPTTP53HSP90AA1HSP90B1
SCHEMBL3732846 0.85 EGLN1 (0.38) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3732845 0.85 EGLN1 (0.38) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3730753 0.84 EGLN1 (0.53) EGLN2EGLN1EGLN3
SCHEMBL1964633 0.84 MAPT (0.40) KDM4ESMN1; SMN2MAPTTP53HSP90AA1
SCHEMBL1963992 0.81 KDM4E (0.45) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1967331 0.79 HSP90AA1 (0.41) KDM4ESMN1; SMN2MAPTTP53HSP90AA1
SCHEMBL1965536 0.75 KDM4E (0.45) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1965559 0.75 KDM4E (0.45) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3730844 0.74 KDM4E (0.45) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6

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
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
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 KDM4E 471/4885SMN1; SMN2 3833/4885HDAC1 83/4885

“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.