SCHEMBL6312032

SCHEMBL6312032

COC(=O)Nc1cccc(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
DDX3X O00571 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.55
FAAH O00519 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
PTGS1 P23219 3/20 0.50
KDM1A O60341 1/20 0.49

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
SCHEMBL716889 0.86 MAPK1 (0.62) ALDH1A1SMN1; SMN2FAAHCYP3A4MAPK1
SCHEMBL28259975 0.85 DDX3X (0.67) ALDH1A1DDX3XSMN1; SMN2MAPK1MAPT
SCHEMBL656043 0.83 ALDH1A1 (0.60) ALDH1A1DDX3XSMN1; SMN2MAPTHDAC3
SCHEMBL27256414 0.83 HPGD (0.68) ALDH1A1DDX3XSMN1; SMN2MAPK1MAPT
SCHEMBL29478358 0.83 ALDH1A1 (0.60) ALDH1A1DDX3XSMN1; SMN2MAPTHDAC3
SCHEMBL8591930 0.83 MAPK1 (0.66) ALDH1A1DDX3XSMN1; SMN2CYP3A4MAPK1
SCHEMBL14467689 0.82 ALDH1A1 (0.68) ALDH1A1DDX3XSMN1; SMN2FAAHCYP3A4
SCHEMBL13489764 0.82 ALDH1A1 (0.63) ALDH1A1DDX3XSMN1; SMN2MAPK1MAPT
SCHEMBL29557251 0.81 ALDH1A1 (1.00) ALDH1A1DDX3XSMN1; SMN2MAPTHDAC3
SCHEMBL374432 0.81 ALDH1A1 (1.00) ALDH1A1DDX3XSMN1; SMN2MAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-02 US disclosed
EP-1296540-B1 DISPLAY TORAY INDUSTRIES (JP) 2019-10-16 EP disclosed
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-20 US disclosed
EP-2899183-B1 Substituted Tetrahydroisoquinoline Compounds as Factor Xia Inhibitors BRISTOL MYERS SQUIBB CO (US) 2018-09-19 EP disclosed
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-9725435-B2 Substituted 4,5,6,7-tetrahydropyrazolo[4,3-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
US-20160289209-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-06 US disclosed
US-9394276-B2 Substituted 1,2,3,4-tetrahydro-2,6-naphthyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-19 US disclosed
US-20040053156-A1 Photosensitive resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-03-18 US disclosed
US-6696112-B2 POSITIVE-TYPE, PHOTOSENSITIVITY; FLAT PANEL DISPLAYS TORAY INDUSTRIES, INC. (JP) 2004-02-24 US disclosed
EP-1388758-A1 Photosensitive heat resistant resin precursor composition TORAY INDUSTRIES, INC. (JP) 2004-02-11 EP disclosed
EP-1296540-A1 DISPLAY TORAY INDUSTRIES, INC. (JP) 2003-03-26 EP disclosed
US-20020162998-A1 Display TORAY INDUSTRIES, INC. (JP) 2002-11-07 US disclosed
EP-0393523-B1 Color developing agent and image forming process FUJI PHOTO FILM CO LTD (JP) 1995-12-13 EP disclosed
US-5310634-A Phenylenediamine derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-05-10 US disclosed
EP-0393523-A2 Color developing agent and image forming process FUJI PHOTO FILM CO., LTD. (JP) 1990-10-24 EP disclosed
US-4226613-A Bisthiocarbamic acid esters and herbicidal use thereof BASF AKTIENGESELLSCHAFT (DE) 1980-10-07 US disclosed
EP-0000030-A1 Diurethanes containing sulphur, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1978-12-20 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-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 ALDH1A1 2906/4885DDX3X 2945/4885SMN1; SMN2 4803/4885
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 ALDH1A1 3227/4885DDX3X 2317/4885SMN1; SMN2 4813/4885
US-10906886-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazines as factor xia inhibitors TFPI, F12, F11 ALDH1A1 1754/4885DDX3X 3421/4885SMN1; SMN2 4844/4885
US-20180265494-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 ALDH1A1 3227/4885DDX3X 2317/4885SMN1; SMN2 4813/4885
US-20160289209-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 ALDH1A1 3227/4885DDX3X 2317/4885SMN1; SMN2 4813/4885

“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.