SCHEMBL1937706

SCHEMBL1937706

O=C1OC(c2ccccc2F)C(Br)=C1c1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
DNMT3B Q9UBC3 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP19A1 P11511 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL28052798 0.66 ALDH1A1 (0.61) ALDH1A1KDM4ETHRBDNMT3BKMT2A
SCHEMBL15620785 0.61 KDM4E (0.61) ALDH1A1KDM4ETHRBKMT2AMEN1
SCHEMBL29852038 0.61 KDM4E (0.61) ALDH1A1KDM4ETHRBKMT2AMEN1
SCHEMBL3585475 0.61 GABRP (0.36) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL11041002 0.61 CA2 (0.58) ALDH1A1KDM4ETHRBDNMT3BBRD4
SCHEMBL1520834 0.60 ALDH1A1 (0.55) ALDH1A1KDM4ETHRBKMT2AMEN1
SCHEMBL30151912 0.57 CYP19A1 (0.43) ALDH1A1KDM4ETHRBKMT2AMEN1
SCHEMBL23835421 0.57 ALDH1A1 (0.39) ALDH1A1KDM4ETHRBDNMT3BBRD4
SCHEMBL854628 0.56 TGM2 (0.38) ALDH1A1TSHRALOX15
SCHEMBL25309741 0.56 HTR2C (0.36) DNMT3BKMT2AMEN1CYP19A1TNKS2

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-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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 (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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A ALDH1A1 1173/4885KDM4E 1409/4885THRB 4045/4885

“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.