SCHEMBL18172598

SCHEMBL18172598

O=C(O)C1CC1C=Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PFKFB3 Q16875 1/20 0.46
CYP1A1 P04798 5/20 0.45
CYP1A2 P05177 5/20 0.45
CYP1B1 Q16678 5/20 0.45
TBXAS1 P24557 1/20 0.45
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
VCP P55072 1/20 0.42
LMNA P02545 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
SCHEMBL18172595 1.00 MAPT (0.51) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL18172563 0.83 LMNA (0.50) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL18172559 0.83 LMNA (0.50) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL18172735 0.82 KDM1A (0.56) MAPTKDM4ECYP1A2CYP1B1CYP2D6
SCHEMBL18172738 0.82 KDM1A (0.56) MAPTKDM4ECYP1A2CYP1B1CYP2D6
SCHEMBL18173266 0.82 KDM1A (0.56) MAPTKDM4ECYP1A2CYP1B1CYP2D6
SCHEMBL18173029 0.79 RAB9A (0.48) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL18173030 0.79 RAB9A (0.48) MAPTRAB9AKDM4ENPC1JUN
Trifluoroacetic Acid SCHEMBL18172875 0.77 KDM1A (0.51) MAPTRAB9AKDM4ENPC1JUN
Trifluoroacetic Acid SCHEMBL18172879 0.77 KDM1A (0.51) MAPTRAB9AKDM4ENPC1JUN

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 MAPT 1201/4885RAB9A 3067/4885KDM4E 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.