SCHEMBL18172679

SCHEMBL18172679

CC(=Cc1ccc(C#N)cc1)C1CC1C(=O)N=[N+]=[N-]

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.40
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
KDM1A O60341 4/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPT P10636 1/20 0.32
P4HB P07237 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL18172676 1.00 FBP1 (0.40) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL18173156 0.83 KDM1A (0.51) ALDH1A1PKMKDM1AMAPT
SCHEMBL18173154 0.83 KDM1A (0.51) ALDH1A1PKMKDM1AMAPT
SCHEMBL18172637 0.80 FBP1 (0.47) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL18172640 0.80 FBP1 (0.47) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL18183170 0.75 FBP1 (0.42) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL18183171 0.73 KDM1A (0.63) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL18172782 0.72 KDM1A (0.61) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL18172783 0.72 KDM1A (0.61) FBP1ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL15968324 0.68

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO 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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A FBP1 1163/4885ALDH1A1 187/4885KDM4E 19/4885

“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.