Sugi Predict

Sugi Predict / Compounds / SCHEMBL136204

SCHEMBL136204

SCHEMBL136204

C#CC(O)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ HIF1A Q16665 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 2/20 0.41
▸ ACP3 P15309 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ IDO2 Q6ZQW0 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ NR3C1 P04150 1/20 0.38

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
SCHEMBL29413799 1.00 ADRB2 (0.43) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL28488454 0.83 PNMT (0.48) ADRB2ADRB1AOC3CYP2D6NFKB1
SCHEMBL194130 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL29397364 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL29501942 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL31026111 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL1628799 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL4840123 0.80 ACP3 (0.43) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL194129 0.80 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6
SCHEMBL11606505 0.78 TSHR (0.50) ADRB2ADRB1AOC3HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 — — US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 — — US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 — — EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 — — US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 — — US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 — — US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 — — US disclosed
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-07-07 — — US disclosed
EP-2968282-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014164708-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-10-09 — — WO disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 — — EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 — — US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 — — US disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 — — US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 — — US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 — — US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 — — EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 — — WO disclosed
US-4568749-A Certain 5-aryl-2-[(4-aryl)-4-hydroxybutyn-2-yl]-1,2,3,4-γ-carbolines PFIZER INC. (US) 1986-02-04 — — US disclosed
US-4510308-A Process for preparing carboline derivatives PFIZER INC. (US) 1985-04-09 — — 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 (7 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-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ADRB2 4359/4885ADRB1 3732/4885AOC3 2870/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ADRB2 4359/4885ADRB1 3732/4885AOC3 2870/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 ADRB2 178/4885ADRB1 115/4885AOC3 2172/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ADRB2 4359/4885ADRB1 3732/4885AOC3 2870/4885
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ADRB2 4359/4885ADRB1 3732/4885AOC3 2870/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A ADRB2 4359/4885ADRB1 3732/4885AOC3 2870/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 ADRB2 587/4885ADRB1 918/4885AOC3 82/4885

“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.