SCHEMBL18173030

SCHEMBL18173030

O=C(O)NC1CC1C=Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PFKFB3 Q16875 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
LMNA P02545 1/20 0.42
TBXAS1 P24557 1/20 0.42
KMT2A Q03164 2/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL18173029 1.00 RAB9A (0.48) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18182908 0.82 RAB9A (0.53) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18172595 0.79 MAPT (0.51) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18172598 0.79 MAPT (0.51) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18172559 0.75 LMNA (0.50) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18172563 0.75 LMNA (0.50) RAB9AMAPTKDM4ENPC1JUN
Trifluoroacetic Acid SCHEMBL18172879 0.74 KDM1A (0.51) RAB9AMAPTKDM4ENPC1JUN
Trifluoroacetic Acid SCHEMBL18172875 0.74 KDM1A (0.51) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18173262 0.73 KDM1A (0.62) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL18173264 0.73 KDM1A (0.62) RAB9AMAPTKDM4ENPC1JUN

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 RAB9A 3067/4885MAPT 1201/4885KDM4E 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.