SCHEMBL249019

SCHEMBL249019

N#Cc1cccc([N+](=O)[O-])c1CN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KCNJ1 P48048 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2A13 Q16696 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 3/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSB P07858 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL248530 0.88 ALDH1A1 (0.45) ALDH1A1MAPTLMNACYP1A2CYP2C19
SCHEMBL5235641 0.81 CTSB (0.48) ALDH1A1MAPTSMN1; SMN2KCNJ1LMNA
SCHEMBL28020044 0.77 CYP1A2 (0.50) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL5236024 0.77 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2KCNJ1LMNA
SCHEMBL19760570 0.77 KCNJ1 (0.46) ALDH1A1MAPTSMN1; SMN2KCNJ1LMNA
SCHEMBL249557 0.77 CYP2A13 (0.50) ALDH1A1MAPTCYP2A13KMT2AMEN1
SCHEMBL5235507 0.75 CTSB (0.48) ALDH1A1MAPTSMN1; SMN2KCNJ1LMNA
SCHEMBL11032914 0.74 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A
SCHEMBL6742108 0.74 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2
SCHEMBL9008678 0.74 ACHE (0.65) ALDH1A1MAPTSMN1; SMN2KCNJ1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47122-E1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA University—Industry Collaboration Foundation (KR) 2018-11-13 US disclosed
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed
EP-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed
CN-103025731-B 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors EWHA UNIVERSITY INDUSTRY COLLABORATION FOUNDATION (KR) 2016-01-13 CN disclosed
EP-2947081-A1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors Ewha University-Industry Collaboration Foundation (KR) 2015-11-25 EP disclosed
EP-2588479-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS UNIV EWHA IND COLLABORATION (KR) 2015-03-04 EP disclosed
EP-2588479-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS Ewha University-Industry Collaboration Foundation (KR) 2013-05-08 EP disclosed
CN-103025731-A 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors UNIV EWHA IND COLLABORATION 2013-04-03 CN disclosed
WO-2012002680-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2012-01-05 WO disclosed
US-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-29 US disclosed
US-8080568-B1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-20 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 (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-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS ALK, ACVR1, ACVRL1 ALDH1A1 1641/4885MAPT 1486/4885SMN1; SMN2 3144/4885

“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.