SCHEMBL2542214

SCHEMBL2542214

Clc1cccc(-n2cccc2Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
FGFR1 P11362 1/20 0.44
NOTUM Q6P988 1/20 0.43
IDO1 P14902 1/20 0.43
ALOX5 P09917 2/20 0.41
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 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
SCHEMBL8140296 0.77 NOTUM (0.47) MGLLFGFR1NOTUMIDO1HTR3E
SCHEMBL27939854 0.74 ATM (0.48) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2222230 0.74 MGLL (0.50) MGLLFGFR1NOTUMIDO1THRB
SCHEMBL2549234 0.74 ALDH1A1 (0.52) MGLLNOTUMIDO1ALOX5HTR3E
SCHEMBL8139424 0.70 KDM4E (0.39) MGLLFGFR1NOTUMIDO1DRD2
SCHEMBL2547696 0.70 ROCK2 (0.40) MGLLFGFR1NOTUMIDO1ROCK2
SCHEMBL2541490 0.69 IDO1 (0.60) MGLLNOTUMIDO1HTR3EHTR3B
SCHEMBL15328279 0.68 MAPK1 (0.55) ROCK2PIM1PIM3TP53CYP1A2
SCHEMBL2548390 0.68 IDO1 (0.50) MGLLNOTUMIDO1HTR3EHTR3B
SCHEMBL17844118 0.67 FGFR1 (0.49) MGLLFGFR1NOTUMIDO1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256961-A Pyrrole derivatives for use as plant growth regulators SYNGENTA PARTICIPATIONS AG 2011-11-23 CN disclosed
US-20110263431-A1 PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-27 US disclosed
EP-2266970-A1 Substituted aromatic heterocyclic compounds as fungicides Syngenta Participations AG (CH) 2010-12-29 EP disclosed
US-20100292258-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-18 US disclosed
CN-101687843-A Substituted aromatic heterocyclic compounds as fungicides SYNGENTA PARTICIPATIONS AG 2010-03-31 CN disclosed
EP-2155714-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2010-02-24 EP disclosed
WO-2008155081-A2 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-12-24 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-20100292258-A1 SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUNDS AS FUNGICIDES NAT1, NOX1, CBR1 MGLL 4709/4885FGFR1 206/4885NOTUM 1550/4885
US-20110263431-A1 PYRROLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS PIN1, PPIE, ALDH18A1 MGLL 2463/4885FGFR1 558/4885NOTUM 846/4885

“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.