SCHEMBL12486648

SCHEMBL12486648

O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.78
MAPT P10636 8/20 0.73
ALDH1A1 P00352 5/20 0.72
POLB P06746 2/20 0.72
PKM P14618 1/20 0.72
LMNA P02545 6/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
GAA P10253 2/20 0.67
TP53 P04637 2/20 0.65
USP2 O75604 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
RAB9A P51151 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL12485740 0.90 MPO (0.81) MPOMAPTALDH1A1POLBPKM
SCHEMBL12487210 0.88 MPO (0.78) MPOMAPTALDH1A1POLBPKM
SCHEMBL15347348 0.88 MPO (1.00) MPOMAPTALDH1A1POLBPKM
SCHEMBL12486824 0.85 THRB (0.74) MPOMAPTALDH1A1POLBPKM
SCHEMBL12487305 0.85 MPO (0.77) MPOMAPTALDH1A1POLBPKM
SCHEMBL18826591 0.85 MAPT (0.80) MPOMAPTALDH1A1POLBPKM
SCHEMBL14966490 0.84 MPO (0.72) MPOMAPTALDH1A1POLBPKM
SCHEMBL14970811 0.84 LMNA (0.69) MPOMAPTALDH1A1POLBPKM
SCHEMBL23261486 0.84 CCNK (0.77) MPOMAPTALDH1A1POLBPKM
SCHEMBL12487273 0.84 MAPT (0.77) MPOMAPTALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066454-A1 Antibiotic Tolerance Inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-03-06 US claimed
EP-2678319-A2 ANTIBIOTIC TOLERANCE INHIBITORS The General Hospital Corporation (US) 2014-01-01 EP claimed
WO-2012116010-A2 ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2012-08-30 WO claimed
US-20150266827-A1 Antibiotic Tolerance Inhibitors THE GENERAL HOSPITAL CORPORATION 2015-09-24 US disclosed
US-8877940-B2 Antibiotic tolerance inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-11-04 US disclosed
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-09-18 US disclosed
US-20140066454-A1 Antibiotic Tolerance Inhibitors INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2014-03-06 US disclosed
EP-2678319-A2 ANTIBIOTIC TOLERANCE INHIBITORS The General Hospital Corporation (US) 2014-01-01 EP disclosed
WO-2013074059-A2 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-05-23 WO disclosed
WO-2012116010-A2 ANTIBIOTIC TOLERANCE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2012-08-30 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 (3 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-20150266827-A1 Antibiotic Tolerance Inhibitors CLPP, CFTR, AADAC MPO 1891/4885MAPT 3775/4885ALDH1A1 1458/4885
US-20140066454-A1 Antibiotic Tolerance Inhibitors CLPP, CFTR, AADAC MPO 1891/4885MAPT 3775/4885ALDH1A1 1458/4885
US-20140275224-A1 CYTOSINE DEAMINASE MODULATORS FOR ENHANCEMENT OF DNA TRANSFECTION CDA, DCTD, ADA MPO 2916/4885MAPT 4829/4885ALDH1A1 2191/4885

“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.