SCHEMBL3921773

SCHEMBL3921773

O=c1c(Br)cncn1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FSCN1 Q16658 4/20 0.45
SCD O00767 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
DBH P09172 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL3914606 0.88 GRM2 (0.44) SMN1; SMN2MAPK1LMNAHTTUBE2N
SCHEMBL3111412 0.85 CYP11B1 (0.51) SMN1; SMN2MAPK1LMNAHTTKMT2A
SCHEMBL3912725 0.84 SCD (0.48) SMN1; SMN2MAPK1SCD
SCHEMBL3921634 0.82 EGLN1 (0.53) SMN1; SMN2MAPK1LMNAHTTUBE2N
SCHEMBL3914923 0.81 CYP11B1 (0.54) SMN1; SMN2LMNAHTTKMT2ACYP11B1
SCHEMBL3911396 0.81 TP53 (0.53) SMN1; SMN2LMNAHTTKMT2ATSHR
SCHEMBL3912721 0.80 CYP11B1 (0.54) SMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL3915564 0.80 LMNA (0.45) LMNAHTTKMT2AFSCN1SCD
SCHEMBL3913086 0.77 ABCC8 (0.49) SMN1; SMN2MAPK1HTTKMT2ACYP11B1
SCHEMBL2400441 0.77 CYP11B2 (0.56) LMNACYP11B1CYP11B2

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 SMN1; SMN2 1817/4885MAPK1 83/4885LMNA 1139/4885

“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.