SCHEMBL2226577

SCHEMBL2226577

O=C(O)Nc1cnc(C(F)(F)F)cc1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
DHODH Q02127 1/20 0.34
IDO1 P14902 2/20 0.33
CYP2C9 P11712 1/20 0.33
POLQ O75417 1/20 0.33
HDAC4 P56524 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
BRAF P15056 1/20 0.32
VNN1 O95497 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL18603977 0.81 CA2 (0.37) SMARCA2SMARCA4MALT1CA2DHODH
SCHEMBL5778030 0.80 RXFP1 (0.40) SMARCA2SMARCA4MALT1LMNA
SCHEMBL392186 0.78 P2RY14 (0.33) CA1CA2AGBL2
SCHEMBL12097927 0.76 SMN1; SMN2 (0.36) MALT1
SCHEMBL16208226 0.76 NPC1 (0.33) GAA
SCHEMBL19730356 0.75 ASPH (0.45) DHODHHSD17B10
SCHEMBL1427509 0.75 NAPRT (0.35) SMARCA2SMARCA4
SCHEMBL18603978 0.74 IGF1R (0.44) CYP2C9POLQTSHR
SCHEMBL16208165 0.71 KMT2A (0.44) LMNA
SCHEMBL17949359 0.70 TRPV4 (0.41) CA2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
EP-3419981-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY Indiana University Research & Technology Corporation (US) 2019-01-02 EP disclosed
US-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-08-23 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
WO-2017147312-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-08-31 WO disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 US disclosed
EP-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 EP disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 US disclosed
EP-2521727-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES Laboratoires Fournier S.A. (FR) 2012-11-14 EP disclosed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 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 (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-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF SMARCA2 243/4885SMARCA4 334/4885MALT1 4748/4885
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives NCOR1, NCOR2, NR0B1 SMARCA2 1575/4885SMARCA4 1281/4885MALT1 1767/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF SMARCA2 243/4885SMARCA4 334/4885MALT1 4748/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF SMARCA2 243/4885SMARCA4 334/4885MALT1 4748/4885

“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.