Sugi Predict

Sugi Predict / Compounds / SCHEMBL7907741

SCHEMBL7907741

SCHEMBL7907741

CC(C)C(=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.61
▸ MAPT P10636 10/20 0.57
▸ ALDH1A1 P00352 6/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ ALOX15 P16050 4/20 0.54
▸ TP53 P04637 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53

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
SCHEMBL15893978 0.98 HIF1A (0.58) HIF1AMAPTALDH1A1NPSR1NPC1
SCHEMBL4037755 0.84 NPC1 (0.59) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1239191 0.84 HIF1A (0.58) HIF1AMAPTALDH1A1NPC1RAB9A
SCHEMBL14390605 0.83 HIF1A (0.56) HIF1AMAPTALDH1A1NPSR1NPC1
SCHEMBL19675277 0.83 ALDH1A1 (0.59) HIF1AALDH1A1TSHRHSD17B10LMNA
SCHEMBL5741875 0.82 MAPT (0.56) HIF1AMAPTALDH1A1NPSR1NPC1
SCHEMBL14478028 0.81 USP2 (0.69) HIF1AMAPTALDH1A1NPSR1NPC1
SCHEMBL26763756 0.80 ALDH1A1 (0.64) HIF1AMAPTALDH1A1NPSR1NPC1
SCHEMBL702430 0.79 NPC1 (0.61) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL13070319 0.79 NPC1 (0.61) MAPTALDH1A1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 — — US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 — — US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 — — US disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 — — US disclosed
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles JAPAN TOBACCO INC. (JP) 2007-10-18 — — US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 — — US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 — — US disclosed
US-6191182-B1 SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION CIBA SPECIALTY CHEMCIALS CORPORATION 2001-02-20 — — US disclosed
US-5977357-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICAL CORPORATION (US) 1999-11-02 — — US disclosed
US-5795985-A Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-08-18 — — US disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — 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 (6 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-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 HIF1A 2355/4885MAPT 92/4885ALDH1A1 2535/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HIF1A 4316/4885MAPT 4065/4885ALDH1A1 1144/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 HIF1A 2355/4885MAPT 92/4885ALDH1A1 2535/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HIF1A 4316/4885MAPT 4065/4885ALDH1A1 1144/4885
US-20070244096-A1 Fused Bicyclic Nitrogen-Containing Heterocycles PC, HCCS, MYC HIF1A 871/4885MAPT 3490/4885ALDH1A1 2218/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HIF1A 4316/4885MAPT 4065/4885ALDH1A1 1144/4885

“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.