SCHEMBL403449

SCHEMBL403449

Cc1ccc(-c2cc(-c3ccccc3Cl)[nH]n2)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 1.00
MEN1 O00255 12/20 1.00
MAPT P10636 12/20 1.00
ALOX15 P16050 11/20 1.00
SMN1; SMN2 Q16637 9/20 1.00
HPGD P15428 9/20 1.00
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
NFKB1 P19838 5/20 1.00
NFKB2 Q00653 5/20 1.00
RELA Q04206 5/20 1.00
USP2 O75604 3/20 1.00
TP53 P04637 2/20 1.00
ALDH1A1 P00352 2/20 1.00
ALOX12 P18054 1/20 0.76
HSD17B10 Q99714 1/20 0.76
NPSR1 Q6W5P4 4/20 0.75
LMNA P02545 2/20 0.75
GLA P06280 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75

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
SCHEMBL10357394 0.90 MAPT (0.82) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL10357571 0.87 MEN1 (1.00) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL13182846 0.83 KMT2A (0.75) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL10358038 0.81 KMT2A (0.79) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL4239940 0.78 MEN1 (0.83) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL10358565 0.78 RAB9A (0.77) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL403442 0.77 KMT2A (0.66) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL17943337 0.77 MAPT (0.81) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL22415570 0.77 MAPT (0.76) KMT2AMEN1MAPTALOX15SMN1; SMN2
SCHEMBL10357543 0.77 KMT2A (0.62) KMT2AMEN1MAPTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2016-02-25 US disclosed
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2016-02-25 US disclosed
US-9212209-B2 Screening methods for spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-15 US disclosed
US-9212209-B2 Screening methods for spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-15 US disclosed
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM THE UAB RESEARCH FOUNDATION 2015-04-16 US disclosed
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2014-07-10 US disclosed
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2014-07-10 US disclosed
WO-2014012050-A2 COMPOUNDS FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2014-01-16 WO disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 US disclosed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US disclosed
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-10 US 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 (6 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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4334/4885MEN1 4723/4885MAPT 4385/4885
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, MTPN KMT2A 1547/4885MEN1 4763/4885MAPT 1135/4885
US-20100144798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4334/4885MEN1 4723/4885MAPT 4385/4885
US-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION EIF2AK2, EIF4EBP1, EIF4E KMT2A 2702/4885MEN1 3203/4885MAPT 4312/4885
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MYOF, MTPN KMT2A 1445/4885MEN1 4750/4885MAPT 800/4885
US-20150105433-A1 TREATING VIRAL INFECTIONS HAVING VIRAL RNAs TRANSLATED BY A NON-IRES MEDIATED MECHANISM EIF2AK2, RPS25, RPL35 KMT2A 3780/4885MEN1 3891/4885MAPT 4081/4885

“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.