SCHEMBL3414664

SCHEMBL3414664

O=C(NCCC[C@H]1CC[C@H](C(=O)Nc2ccncc2)CC1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTT P42858 1/20 0.47
GLA P06280 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GRIN2B Q13224 1/20 0.45
F10 P00742 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TGM2 P21980 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ENPP2 Q13822 1/20 0.42

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
SCHEMBL3414618 0.94 POLB (0.58) POLBHTTGLACYP2D6CYP2C9
SCHEMBL2468733 0.94 POLB (0.58) POLBHTTGLACYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7389872 0.93 POLB (0.57) POLBHTTGLACYP2D6CYP2C9
SCHEMBL1554397 0.88 POLB (0.60) POLBHTTGLACYP2D6CYP2C9
SCHEMBL1554396 0.88 POLB (0.60) POLBHTTGLACYP2D6CYP2C9
SCHEMBL8393267 0.84 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL6686919 0.83 ALDH1A1 (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7328492 0.83 ALDH1A1 (0.61) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL7327865 0.81 ALDH1A1 (0.66) POLBHTTGLACYP2D6CYP2C9
SCHEMBL7327862 0.81 ALDH1A1 (0.66) POLBHTTGLACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3043822-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-20 EP disclosed
EP-3039126-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-07-06 EP disclosed
WO-2015041809-A2 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-26 WO disclosed
WO-2015038704-A1 COMPOSITIONS FOR PREPARING CARDIOMYOCYTES THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-03-19 WO disclosed
WO-2010048673-A1 MODULATION OF CELLULAR DIFFERENTIATION AND USES THEREFOR MURDOCH CHILDRENS RESEARCH INSTITUTE (AU) 2010-05-06 WO disclosed
US-6930115-B2 Antitumor effect potentiators MITSUBISHI PHARMA CORPORATION (JP) 2005-08-16 US disclosed
WO-2004062666-A2 USE OF RHO-KINASE INHIBITORRS FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA UNIVERSITY COLLEGE LONDON (GB) 2004-07-29 WO disclosed
US-20030165576-A1 Antitumor effect potentiators MITSUBISHI PHARMA CORPORATION (JP) 2003-09-04 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-20030165576-A1 Antitumor effect potentiators RHOT2, ROCK2, CIT POLB 1424/4885HTT 4707/4885GLA 2677/4885

“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.