SCHEMBL12043192

SCHEMBL12043192

CCCc1ccc2nc(N3CCN(C(=O)Nc4ccc(F)cc4F)CC3)c(C#N)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ CASP7 P55210 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ PKM P14618 1/20 0.47
▸ CFTR P13569 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ P2RY12 Q9H244 7/20 0.45
▸ TP53 P04637 1/20 0.44
▸ PANK3 Q9H999 1/20 0.43

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
SCHEMBL14073368 0.88 KDM4E (0.64) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL12043118 0.86 ALDH1A1 (0.70) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL12043125 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL14073362 0.81 KDM4E (0.70) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL14073363 0.81 KDM4E (0.61) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL16940596 0.75 KDM4E (0.62) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL16940595 0.75 KDM4E (0.74) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL2525573 0.74 KDM4E (0.84) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL12043100 0.72 MEN1 (0.69) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2
SCHEMBL12043094 0.70 KDM4E (0.85) ALDH1A1KDM4ETSHRCASP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999972-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2015-04-07 — — US disclosed
US-20110319391-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION NEURONASCENT, INC. 2011-12-29 — — US disclosed
US-8039462-B2 Alzheimer's disease, stroke, traumatic brain injury, and depression, neurodegenerative diseases; antidepressants; a phenyl thiourea or urea derivatives; promote cell proliferation of stem or progenitor cells NEURONASCENT, INC. (US) 2011-10-18 — — US disclosed
US-20080234253-A1 Methods and Compositons for Stimulating Neurogenesis and Inhibiting Neuronal Degeneration NEURONASCENT, INC. (US) 2008-09-25 — — 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-20110319391-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEUROGENESIS AND INHIBITING NEURONAL DEGENERATION DCX, BDNF, GAP43 ALDH1A1 874/4885KDM4E 3732/4885TSHR 3333/4885
US-20080234253-A1 Methods and Compositons for Stimulating Neurogenesis and Inhibiting Neuronal Degeneration DCX, BDNF, GAP43 ALDH1A1 1544/4885KDM4E 4443/4885TSHR 2962/4885

“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.

Send feedback