SCHEMBL6848207

SCHEMBL6848207

CC(=O)/C=C/c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.73
▸ MAPT P10636 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ NPC1 O15118 2/20 0.73
▸ JUN P05412 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ GPR55 Q9Y2T6 1/20 0.73
▸ TDP1 Q9NUW8 2/20 0.65
▸ APAF1 O14727 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ PFKFB3 Q16875 1/20 0.63
▸ GLA P06280 1/20 0.60
▸ KMT2A Q03164 1/20 0.59
▸ CYP1A1 P04798 10/20 0.57
▸ CYP1A2 P05177 10/20 0.57
▸ CYP1B1 Q16678 10/20 0.57
▸ USP2 O75604 1/20 0.55
▸ CYP11B1 P15538 1/20 0.55

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
SCHEMBL6848209 1.00 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL30949406 0.86 MAPT (0.60) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598850 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598852 0.85 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334615 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL334614 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971079 0.83 MAPT (0.96) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL29416684 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL755249 0.83 RAB9A (0.76) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971085 0.83 MAPT (0.96) RAB9AMAPTKDM4ENPC1JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214151-A Method for the preparation of α, β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1993-05-25 — — US claimed
US-4514267-A Zinc electroplating additive concentrate OMI INTERNATIONAL CORPORATION (US) 1985-04-30 — — US claimed
WO-2021158869-A1 COMPOUNDS, COMPOSITIONS, METHODS FOR TREATING DISEASES AND NERVE DAMAGE, AND METHODS FOR PREPARING COMPOUNDS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-08-12 — — WO disclosed
WO-2021058018-A1 INHIBITORS OF KRAS G12C BEIGENE, LTD. (KY) 2021-04-01 — — WO disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 — — US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 — — US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 — — US disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 — — US disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 — — US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 — — US disclosed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 — — US disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 — — US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 — — WO disclosed
US-5214151-A Method for the preparation of α, β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1993-05-25 — — US disclosed
EP-0104876-B1 HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES ICI AUSTRALIA LIMITED (AU) 1991-12-27 — — EP disclosed
EP-0457912-A1 METHOD FOR THE PREPARATION OF $g(a),$g(b)-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-11-27 — — EP disclosed
WO-1991007371-A1 METHOD FOR THE PREPARATION OF α,β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 — — WO disclosed
US-4631081-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1986-12-23 — — US disclosed
US-4514267-A Zinc electroplating additive concentrate OMI INTERNATIONAL CORPORATION (US) 1985-04-30 — — US disclosed
EP-0104876-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-04-04 — — 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 (5 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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC RAB9A 783/4885MAPT 2454/4885KDM4E 4380/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC RAB9A 783/4885MAPT 2454/4885KDM4E 4380/4885
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 RAB9A 1557/4885MAPT 2480/4885KDM4E 1950/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885MAPT 899/4885KDM4E 1227/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 RAB9A 4701/4885MAPT 4696/4885KDM4E 3762/4885

“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.

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