SCHEMBL444168

SCHEMBL444168

O=[C]OCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
PARP10 Q53GL7 1/20 0.46
HRH1 P35367 1/20 0.44
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SYK P43405 3/20 0.41
FDPS P14324 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRA P18433 1/20 0.41

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
SCHEMBL1455874 0.81 HRH1 (0.50) SMN1; SMN2ALDH1A1LMNAHRH1TDP1
SCHEMBL27974290 0.80 SYK (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4334481 0.78 HRH1 (0.50) SMN1; SMN2ALDH1A1LMNAHRH1TDP1
SCHEMBL738346 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5536476 0.77 HRH1 (0.53) SMN1; SMN2ALDH1A1KDM4ELMNAHRH1
SCHEMBL493397 0.76 HRH1 (0.52) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1186133 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5252524 0.75 HRH1 (0.56) SMN1; SMN2ALDH1A1LMNAHRH1TDP1
SCHEMBL5544614 0.75 HRH1 (0.56) SMN1; SMN2ALDH1A1LMNAHRH1TDP1
SCHEMBL6708489 0.74 CTDSP1 (0.41)

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 1024 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP claimed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
CN-103200936-B Novel N-hydroxybenzamide compounds for the treatment of cancer HOFFMANN LA ROCHE 2015-03-11 CN claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP claimed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US claimed
EP-2613775-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
CN-102803204-A Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD COLORADO INC 2012-11-28 CN claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP claimed
US-4600534-A Process and intermediates for manufacture of 3-(5-amino-1-carboxypentylamino)-tetrahydro-1-benzazepin-2-one-1-acetic acid CIBA-GEIGY CORPORATION (US) 1986-07-15 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4246405-A Method for preparation of β-lactam compound FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-01-20 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-4000144-A HYPOLIPIDAEMIC AGENTS AND ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1976-12-28 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed
US-3933835-A ANTIALLERGENS, HYPOLIPIDAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 SMN1; SMN2 4782/4885ALDH1A1 1995/4885KDM4E 396/4885

“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.