SCHEMBL2231998

SCHEMBL2231998

O=C(C=Cc1ccccc1)c1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
LMNA P02545 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
CYP1B1 Q16678 7/20 0.51
RECQL P46063 3/20 0.51
PLIN1 O60240 2/20 0.51
PLIN5 Q00G26 2/20 0.51
ABHD5 Q8WTS1 2/20 0.51
BCHE P06276 2/20 0.51
MAOB P27338 2/20 0.51
TNFRSF1A P19438 1/20 0.51
ACHE P22303 1/20 0.51
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A1 P04798 1/20 0.49
F3 P13726 2/20 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
SCHEMBL1186025 1.00 MAPT (0.55) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL28949227 0.83 HSP90AA1 (0.55) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL3363377 0.81 CYP1A2 (0.59) MAPTLMNANPC1RAB9ACYP1B1
SCHEMBL3363379 0.81 CYP1A2 (0.59) MAPTLMNANPC1RAB9ACYP1B1
SCHEMBL7670441 0.81 NPC1 (0.52) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL20746436 0.80 KMT2A (0.51) MAPTLMNANPC1RAB9ABCHE
SCHEMBL20746435 0.80 KMT2A (0.51) MAPTLMNANPC1RAB9ABCHE
SCHEMBL7663059 0.79 NPC1 (0.44) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL20754590 0.79 CYP2D6 (0.39) MAPTLMNANPC1RAB9AKDM4E
SCHEMBL7661505 0.74 MAPT (0.51) MAPTLMNANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822676-B Novel ROCK inhibitors PH制药有限公司 2019-11-05 CN disclosed
EP-2914590-B1 NOVEL ROCK INHIBITORS PH PHARMA CO LTD (KR) 2016-11-30 EP disclosed
US-9394286-B2 Rock inhibitors AMAKEM NV (BE) 2016-07-19 US disclosed
CN-105154418-A Compositions and methods comprising a subtilisin variant DANISCO US INC 2015-12-16 CN disclosed
US-9174939-B2 Soft rock inhibitors AMAKEM NV (BE) 2015-11-03 US disclosed
EP-2751080-B1 NOVEL SOFT ROCK INHIBITORS AMAKEM NV (BE) 2015-10-28 EP disclosed
US-20150299173-A1 NOVEL ROCK INHIBTORS AMAKEM NV (BE) 2015-10-22 US disclosed
EP-2914590-A1 NOVEL ROCK INHIBITORS Amakem NV (BE) 2015-09-09 EP disclosed
US-9126933-B2 Soft PDE4 inhibitors AMAKEM NV (BE) 2015-09-08 US disclosed
CN-104822676-A Novel ROCK inhibitors AMAKEM NV 2015-08-05 CN disclosed
US-5739170-A PARASITICIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-14 US disclosed
EP-0817624-A1 INHIBITORS OF METAZOAN PARASITE PROTEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-14 EP disclosed
CN-1152910-A Difluorostatone antiviral agents MERRELL PHARMA INC (US) 1997-06-25 CN disclosed
WO-1996030004-A1 INHIBITORS OF METAZOAN PARASITE PROTEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-03 WO disclosed
EP-0581165-A2 Acrylamide derivatives as antirussive agent DOMPE' FARMACEUTICI S.p.A. (IT) 1994-02-02 EP disclosed
US-4634628-A Recording medium and image recording process CANON KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
US-4610997-A Fungicidal N-acylimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-09 US disclosed
EP-0141619-A2 N-Acylimidazoles and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-15 EP disclosed
US-4493842-A Fungicidal N-(phenyl-lower alkanoyl-)-imidazole derivatives, composition, and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-01-15 US disclosed
EP-0095285-A1 N-acylimidazoles, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-30 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 (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-20150299173-A1 NOVEL ROCK INHIBTORS ROCK1, ROCK2, CIT MAPT 1809/4885LMNA 3528/4885NPC1 4074/4885

“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.