SCHEMBL376107

SCHEMBL376107

COc1ccc(OC(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
MITF O75030 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
VCP P55072 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL11200639 0.91 ALDH1A1 (0.52) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL12993689 0.88 MAPT (0.54) ALDH1A1MAPTGAAMITFPKM
SCHEMBL7121678 0.86 MAPT (0.46) ALDH1A1MAPTGAAMITFPKM
SCHEMBL823830 0.83 ALDH1A1 (0.50) ALDH1A1MAPTPKMHTTNPC1
SCHEMBL29650091 0.83 ALDH1A1 (0.61) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL4063903 0.83 ALDH1A1 (0.61) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL27929922 0.83 PDK1 (0.52) ALDH1A1MAPTTDP1CYP3A4TSHR
SCHEMBL28218587 0.82 ALDH1A1 (0.59) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL14798355 0.81 ALDH1A1 (0.60) ALDH1A1MAPTTDP1NPC1RAB9A
SCHEMBL377595 0.81 MAPK1 (0.51) ALDH1A1MAPTPKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230274-B1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-10023539-B2 Aryl-cyanoguanidine compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-07-17 US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 US disclosed
EP-3230274-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-10-18 EP disclosed
WO-2016091845-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 WO disclosed
WO-2016091845-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-16 WO disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 WO disclosed
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed
EP-0168729-B1 CYAN DYE-FORMING COUPLERS AND PHOTOGRAPHIC ELEMENTS AND PROCESSES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-01-04 EP disclosed
US-4762925-A COLOR PHOTOGRAPHY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-08-09 US disclosed
US-4672013-A 6-HYDROXYL-2H-U,4-BENZOXAZIN-3-(4H)-ONE COUPLER REACTS WITH DEVELOPER TO GIVE INDOANILINE DYE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-06-09 US disclosed
US-4591548-A 6-HYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-05-27 US disclosed
EP-0168729-A2 Cyan dye-forming couplers and photographic elements and processes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-22 EP disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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 (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-10023539-B2 Aryl-cyanoguanidine compounds SMYD2, SETD2, SMYD3 ALDH1A1 3801/4885MAPT 1747/4885GAA 4312/4885
US-20170342034-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 ALDH1A1 3996/4885MAPT 1402/4885GAA 4530/4885

“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.