SCHEMBL853330

SCHEMBL853330

COc1cc(NC(C)=O)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
MAPK1 P28482 2/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
HDAC1 Q13547 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL29594166 1.00 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL399453 0.86 TDP1 (0.69) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL29593678 0.86 TDP1 (0.69) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL13176003 0.86 SMN1; SMN2 (0.50) ALDH1A1TDP1SMN1; SMN2LMNAHTT
SCHEMBL5177671 0.86 ALDH1A1 (0.48) ALDH1A1TDP1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL10875998 0.85 TDP1 (0.68) ALDH1A1TDP1SMN1; SMN2MAPK1LMNA
SCHEMBL9594291 0.85 TDP1 (0.55) ALDH1A1TDP1SMN1; SMN2HTTHDAC1
SCHEMBL8751487 0.84 SMN1; SMN2 (0.54) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL30492996 0.84 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL1851780 0.84 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
CN-114394974-A Polysubstituted triaryl macrocyclic compounds and uses thereof 中国药科大学 2022-04-26 CN disclosed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
EP-0317859-A2 Azo dyes containing polyethylenimine BASF Aktiengesellschaft (DE) 1989-05-31 EP disclosed
EP-0087706-B1 CATIONIC HYDRAZONE DYES, THEIR MANUFACTURE AND THEIR USE BAYER AG (DE) 1986-07-30 EP disclosed
US-4496719-A 3H-Indol-2-yl cationic hydrazone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0087706-A2 Cationic hydrazone dyes, their manufacture and their use BAYER AG (DE) 1983-09-07 EP disclosed
EP-0014318-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE FOR DYEING MATERIALS CONTAINING HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1983-02-23 EP disclosed
US-4286962-A Phthalocyanine reactive dyestuffs, their preparation and their use for dyeing materials containing hydroxyl groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1981-09-01 US disclosed
US-4267107-A WATER SOLUBLE PHTHALOCYANINE DYES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
EP-0014318-A1 Reactive dyestuffs, their preparation and their use for dyeing materials containing hydroxyl or amide groups BAYER AG (DE) 1980-08-20 EP disclosed
US-4062838-A LACQUERS, PRINTING INKS, YELLOW TO ORANGE CIBA-GEIGY CORPORATION (US) 1977-12-13 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885TDP1 811/4885SMN1; SMN2 4191/4885
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA ALDH1A1 3573/4885TDP1 630/4885SMN1; SMN2 427/4885

“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.