SCHEMBL18173085

SCHEMBL18173085

C/C(=C\C1CC1C(=O)N=[N+]=[N-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
DEGS1 O15121 1/20 0.31
SLC6A1 P30531 1/20 0.30

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
SCHEMBL18173087 1.00 KDM1A (0.50) KDM1AMAPK1SMN1; SMN2TDP1CYP1A2
SCHEMBL18173001 0.79 KDM1A (0.62) KDM1AMAPK1SMN1; SMN2TDP1CES2
SCHEMBL18172996 0.79 KDM1A (0.62) KDM1AMAPK1SMN1; SMN2TDP1CES2
SCHEMBL18173167 0.75 KDM1A (0.45) KDM1ASMN1; SMN2TDP1CYP1A2CYP2C9
SCHEMBL18173154 0.71 KDM1A (0.51) KDM1AMAPK1
SCHEMBL18173156 0.71 KDM1A (0.51) KDM1AMAPK1
SCHEMBL18182649 0.71 KDM1A (0.51) KDM1ASMN1; SMN2
SCHEMBL18173086 0.68 NFE2L2 (0.38) SMN1; SMN2CYP1A2
SCHEMBL18173088 0.68 NFE2L2 (0.38) SMN1; SMN2CYP1A2
SCHEMBL18173412 0.68 KDM1A (1.00) KDM1ACYP1A2CYP2C9CYP2C19CES2

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 6 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
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
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 KDM1A 2/4885MAPK1 1481/4885SMN1; SMN2 567/4885

“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.