SCHEMBL533256

SCHEMBL533256

COc1ccc2n[c]oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
POLB P06746 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
NQO2 P16083 1/20 0.43
APP P05067 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HPGD P15428 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
AKR1B1 P15121 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL940594 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBRAB9AMEN1
SCHEMBL11786390 0.81 KMT2A (0.45) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL939151 0.75 KDM4E (0.43) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL207905 0.71 PIK3CG (0.44) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL4150810 0.71 KDM4E (0.42) ALDH1A1KDM4EPOLBRAB9AMEN1
SCHEMBL207175 0.71 BACE1 (0.34) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11784333 0.70 SCN10A (0.36) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5708068 0.69 NPC1 (0.35) ALDH1A1KDM4EPOLBRAB9AMEN1
SCHEMBL926856 0.68 KDM4E (0.48) ALDH1A1KDM4EPOLBRAB9AMEN1
SCHEMBL938963 0.67 NPC1 (0.42) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US claimed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO claimed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
US-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 EP disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 EP disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 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 (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-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ ALDH1A1 2466/4885KDM4E 4252/4885POLB 4166/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR ALDH1A1 3139/4885KDM4E 2218/4885POLB 3401/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 204/4885KDM4E 2779/4885POLB 3280/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ ALDH1A1 2466/4885KDM4E 4252/4885POLB 4166/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885KDM4E 2804/4885POLB 3560/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885KDM4E 3706/4885POLB 2959/4885

“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.