SCHEMBL1995650

SCHEMBL1995650

COC(=O)c1cc(Cl)ccc1C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.64
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
NR4A2 P43354 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL6100118 0.90 ABL1 (0.70) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL1957006 0.85 ABL1 (0.64) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL1955327 0.85 ABL1 (0.64) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL16960600 0.85 ABL1 (0.64) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL20117002 0.84 ALDH1A1 (0.50) ABL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL23035401 0.81 ABL1 (0.64) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL5129370 0.81 ABL1 (0.64) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL608814 0.81 ABL1 (0.68) ABL1NR4A2KMT2AMEN1ALDH1A1
SCHEMBL4363906 0.81 ABL1 (0.62) ABL1SLC6A4SLC6A3NR4A2KMT2A
SCHEMBL10028293 0.80 ABL1 (0.57) ABL1SLC6A4SLC6A3NR4A2KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
WO-2021203014-A1 PYRANO[4,3-B]L NDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
EP-3037416-A1 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES Bristol-Myers Squibb Holdings Ireland (CH) 2016-06-29 EP disclosed
EP-3037416-A1 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES Bristol-Myers Squibb Holdings Ireland (CH) 2016-06-29 EP disclosed
EP-2326624-B1 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2015-10-07 EP disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-8877929-B2 Process for synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-04 US disclosed
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-16 US disclosed
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2012-08-30 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
US-8207341-B2 Process or synthesizing substituted isoquinolines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-26 US disclosed
EP-2326624-A2 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES Bristol-Myers Squibb Company (US) 2011-06-01 EP disclosed
WO-2010027889-A2 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-11 WO disclosed
WO-2010027889-A2 PROCESS FOR SYNTHESIZING SUBSTITUTED ISOQUINOLINES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-11 WO disclosed
US-20100056792-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2010-03-04 US disclosed
US-20100056792-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2010-03-04 US disclosed
US-20100056792-A1 Process for Synthesizing Substituted Isoquinolines BRISTOL-MYERS SQUIBB COMPANY 2010-03-04 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 (4 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-20100056792-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP ABL1 8/4885SLC6A4 404/4885SLC6A3 917/4885
US-20130123503-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP ABL1 8/4885SLC6A4 404/4885SLC6A3 917/4885
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ABL1 4764/4885SLC6A4 3533/4885SLC6A3 4010/4885
US-20120220774-A1 Process for Synthesizing Substituted Isoquinolines POLQ, SFPQ, SYNCRIP ABL1 8/4885SLC6A4 404/4885SLC6A3 917/4885

“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.