SCHEMBL1639271

SCHEMBL1639271

O=CCCc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
GRM2 Q14416 1/20 0.35
GLS O94925 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
RAB9A P51151 2/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9805561 0.86 NPC1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL622260 0.80 GBA1 (0.41) GBA1ALDH1A1KDM4ENPC1TSHR
SCHEMBL29600434 0.80 GBA1 (0.41) GBA1ALDH1A1KDM4ENPC1TSHR
SCHEMBL31212506 0.77 CA12 (0.37) ADRA2AADRA2BADRA2C
SCHEMBL22151010 0.77 CA12 (0.37) ADRA2AADRA2BADRA2C
SCHEMBL13680819 0.77 DAO (0.46) ALDH1A1MBOAT4
SCHEMBL6197859 0.77 CCR1 (0.40) ALDH1A1KDM4ENPC1ADRA2AADRA2B
SCHEMBL13680812 0.77 ESR1 (0.42)
SCHEMBL13680816 0.77 DAO (0.35) ALDH1A1KDM4ETSHRADRA2AADRA2B
SCHEMBL27689054 0.77 GBA1 (0.36) GBA1ALDH1A1KDM4ENPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491035-B1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-30 EP disclosed
US-9161934-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-10-20 US disclosed
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. 2015-05-07 US disclosed
US-8962652-B2 Derivatives of purine or deazapurine useful for the treatment of (inter alia) viral infections GILEAD SCIENCES, INC. (US) 2015-02-24 US disclosed
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2014-05-08 US disclosed
US-8507507-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-08-13 US disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
CN-102666541-A Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES INC 2012-09-12 CN disclosed
EP-2491035-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS Gilead Sciences, Inc. (US) 2012-08-29 EP disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2011049825-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-04-28 WO disclosed
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2011-04-28 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-5808101-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-09-15 US disclosed
US-5710288-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-01-20 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-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 GBA1 2706/4885ALDH1A1 2598/4885KDM4E 1889/4885
US-20150126509-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT GBA1 1082/4885ALDH1A1 963/4885KDM4E 3501/4885
US-20140128389-A1 DERIVATIVES OF PURINE OR DEAZAPURINE USEFUL FOR THE TREATMENT OF (INTER ALIA) VIRAL INFECTIONS ENTPD5, MAVS, TPMT GBA1 1082/4885ALDH1A1 963/4885KDM4E 3501/4885
US-20110098248-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR6, TLR1 GBA1 3373/4885ALDH1A1 4242/4885KDM4E 3699/4885

“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.