SCHEMBL1827843

SCHEMBL1827843

O=[N+]([O-])c1ccc(-c2cccc(-c3ccn4ccccc34)c2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SCN2A Q99250 2/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ MBD2 Q9UBB5 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AR P10275 2/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ PSD A5PKW4 1/20 0.33

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
SCHEMBL28020019 0.76 AKR1C3 (0.46) HTR7ALDH1A1SCN2AKIF11AKR1C3
SCHEMBL27915252 0.69 AKR1C3 (0.52) HTR7ALDH1A1SCN2AKIF11AKR1C3
SCHEMBL1827846 0.67 PTGS1 (0.40) HTR7ALDH1A1PKMRAB9ARXFP1
SCHEMBL29820749 0.67 AKR1C3 (0.44) ALDH1A1KIF11AKR1C3AKR1C2AR
SCHEMBL28532846 0.67 AKR1C3 (0.44) ALDH1A1KIF11AKR1C3AKR1C2AR
SCHEMBL28240316 0.66 ALDH1A1 (0.58) HTR7ALDH1A1SCN2AAPPMAOB
SCHEMBL7168109 0.65 ALDH1A1 (0.47) ALDH1A1PKMRAB9ARXFP1MBD2
SCHEMBL2818370 0.64 ALDH1A1 (0.50) HTR7ALDH1A1RAB9ASCN2AAPP
SCHEMBL11691049 0.64 ALDH1A1 (0.51) HTR7ALDH1A1RAB9ARXFP1SCN2A
SCHEMBL2092577 0.63 MAPT (0.44) ALDH1A1PKMRAB9ASCN2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — US disclosed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 — — EP disclosed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP disclosed
EP-1651232-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-06-06 — — EP disclosed
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 — — EP disclosed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 — — EP disclosed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 — — EP disclosed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 — — US disclosed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 — — US disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 — — 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 HTR7 3084/4885ALDH1A1 1952/4885PKM 1821/4885
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F HTR7 2395/4885ALDH1A1 2803/4885PKM 2176/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 HTR7 3084/4885ALDH1A1 1952/4885PKM 1821/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 HTR7 3616/4885ALDH1A1 1281/4885PKM 2137/4885

“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.

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