SCHEMBL3923271

SCHEMBL3923271

O=S(=O)(NCc1ccncc1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.71
LMNA P02545 7/20 0.71
HTT P42858 7/20 0.71
CYP19A1 P11511 1/20 0.64
RAB9A P51151 4/20 0.62
ALDH1A1 P00352 2/20 0.62
NR2F2 P24468 1/20 0.62
NPC1 O15118 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NAMPT P43490 2/20 0.59
GALR3 O60755 1/20 0.57
GAA P10253 1/20 0.54

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
SCHEMBL27083360 0.85 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL7956461 0.84 ALDH1A1 (0.54) SMN1; SMN2LMNAHTTCYP19A1RAB9A
SCHEMBL29258245 0.83 NAMPT (0.86) NAMPT
SCHEMBL4895465 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL7663045 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL4662893 0.83 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL2831966 0.83 CYP19A1 (0.78) SMN1; SMN2LMNACYP19A1ALDH1A1CYP1A2
SCHEMBL29258266 0.83 NAMPT (0.65) SMN1; SMN2ALDH1A1NAMPT
SCHEMBL12078116 0.82 NAMPT (0.60) SMN1; SMN2LMNAALDH1A1NAMPT
SCHEMBL1581598 0.81 CYP2C19 (0.67) SMN1; SMN2LMNAHTTCYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043384-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-02-08 US disclosed
WO-2022217239-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-13 WO disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 US disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 US disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-7705026-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES RIB-X PHARMACEUTICALS, INC. (US) 2010-01-28 US disclosed
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES RIB-X PHARMACEUTICALS, INC. (US) 2010-01-28 US disclosed
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
US-7456206-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2008-11-25 US disclosed
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 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 (5 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-20100234591-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF SMN1; SMN2 4396/4885LMNA 910/4885HTT 506/4885
US-20240043384-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE CREBBP, JUN, SP1 SMN1; SMN2 763/4885LMNA 2795/4885HTT 645/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF SMN1; SMN2 4396/4885LMNA 910/4885HTT 506/4885
US-20100022772-A1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDNONES PCNA, PGC, MKI67 SMN1; SMN2 3267/4885LMNA 1264/4885HTT 2244/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF SMN1; SMN2 4396/4885LMNA 910/4885HTT 506/4885

“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.