SCHEMBL5301835

SCHEMBL5301835

c1coc(-c2cnccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.52
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 4/20 0.46
PKM P14618 3/20 0.46
GFER P55789 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
GSK3B P49841 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL31064975 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL22971349 0.79 ADORA2B (0.51) SIRT1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL3163523 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL337077 0.76
SCHEMBL5548587 0.76 SMN1; SMN2 (0.49) SIRT1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL731598 0.75 KDM4E (0.73) SIRT1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL29836037 0.75 KDM4E (0.73) SIRT1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1445253 0.72 MAPK1 (0.53) ALDH1A1KDM4ECYP19A1MAPK1GLA
SCHEMBL30463614 0.72 MAPK1 (0.53) ALDH1A1KDM4ECYP19A1MAPK1GLA
SCHEMBL31064873 0.72 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
EP-0413368-B1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies THURN & TAXIS BRAUEREI (DE) 1994-08-17 EP claimed
EP-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP claimed
CN-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 CN disclosed
CN-116098279-A Matcha flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-116103086-A Tea flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 US disclosed
US-20200311056-A1 METHOD AND SYSTEM FOR SUBSTITUTING A FOOD OR DRINK OR ONE OR MORE INGREDIENTS THEREOF FOODPAIRING NV (BE) 2020-10-01 US disclosed
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 US disclosed
CN-110869348-A Pyrrole compound, perfume composition, and food, drink and cosmetic containing same 长谷川香料株式会社 2020-03-06 CN disclosed
EP-3297450-A1 PROCESS FOR PRODUCING A LIQUID EXTRACT, PROCESS FOR PRODUCING COFFEE WITH REDUCED BITTERNESS, PROCESS FOR PRODUCING TEA, AND PROCESS FOR PRODUCING A LIQUID EXTRACT WHICH INCLUDE PYRAZINES The Coca-Cola Company (US) 2018-03-28 EP disclosed
WO-2016186686-A1 PROCESS FOR PRODUCING A LIQUID EXTRACT, PROCESS FOR PRODUCING COFFEE WITH REDUCED BITTERNESS, PROCESS FOR PRODUCING TEA, AND PROCESS FOR PRODUCING A LIQUID EXTRACT WHICH INCLUDE PYRAZINES THE COCA-COLA COMPANY (US) 2016-11-24 WO disclosed
US-20150220592-A1 METHOD AND SYSTEM FOR SUBSTITUTING A FOOD OR DRINK OR ONE OR MORE INGREDIENTS THEREOF FOODPAIRING NV (BE) 2015-08-06 US disclosed
CN-101317693-B Deoxyfructosazine containing additive agent for fragrance compensation for low-coke tar cigarette ZHENGZHOU TOBACCO RES CNTC 2010-06-02 CN disclosed
CN-101317693-A Deoxyfructosazine containing additive agent for fragrance compensation for low-coke tar cigarette ZHENGZHOU TOBACCO RES CNTC (CN) 2008-12-10 CN disclosed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO disclosed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US disclosed
EP-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP 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 (2 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-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 SIRT1 572/4885ALDH1A1 82/4885KDM4E 1137/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 SIRT1 652/4885ALDH1A1 104/4885KDM4E 717/4885

“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.