SCHEMBL3914923

SCHEMBL3914923

O=c1c(Br)cncn1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 7/20 0.54
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
PKM P14618 2/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAPK14 Q16539 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
SCHEMBL3111412 0.86 CYP11B1 (0.51) CYP11B1CYP11B2HTTSMN1; SMN2MAPT
SCHEMBL3911396 0.84 TP53 (0.53) CYP11B1CYP11B2HTTSMN1; SMN2MAPT
SCHEMBL3912721 0.84 CYP11B1 (0.54) CYP11B1CYP11B2SMN1; SMN2LMNAHPGD
SCHEMBL3913908 0.84 IDO1 (0.49) CYP11B1CYP11B2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3914606 0.83 GRM2 (0.44) CYP11B1CYP11B2HTTSMN1; SMN2PKM
SCHEMBL2400441 0.81 CYP11B2 (0.56) CYP11B1CYP11B2MAPTLMNAKDM4E
SCHEMBL3913086 0.81 ABCC8 (0.49) CYP11B1CYP11B2HTTSMN1; SMN2RAB9A
SCHEMBL3921773 0.81 SMN1; SMN2 (0.50) CYP11B1CYP11B2HTTSMN1; SMN2KMT2A
SCHEMBL3916349 0.80 PDPK1 (0.40)
SCHEMBL3927346 0.80 ALDH1A1 (0.47) HTTSMN1; SMN2MAPTNPSR1MEN1

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
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 CYP11B1 81/4885CYP11B2 85/4885HTT 3456/4885

“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.