SCHEMBL18173154

SCHEMBL18173154

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.51
AKR1C3 P42330 1/20 0.39
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL18173156 1.00 KDM1A (0.51) KDM1AAKR1C3ELANEALDH1A1TSHR
SCHEMBL18172676 0.83 FBP1 (0.40) KDM1AALDH1A1MAPTPKM
SCHEMBL18172679 0.83 FBP1 (0.40) KDM1AALDH1A1MAPTPKM
SCHEMBL18173117 0.83 KDM1A (0.35) KDM1AAKR1C3ALDH1A1TSHRRECQL
SCHEMBL18173297 0.83 KDM1A (0.55) KDM1AAKR1C3RECQLNPC1MAPT
SCHEMBL18173122 0.83 KDM1A (0.35) KDM1AAKR1C3ALDH1A1TSHRRECQL
SCHEMBL18173299 0.83 KDM1A (0.55) KDM1AAKR1C3RECQLNPC1MAPT
SCHEMBL18173120 0.83 KDM1A (0.35) KDM1AAKR1C3ALDH1A1TSHRRECQL
SCHEMBL20527566 0.83 KDM1A (0.35) KDM1AAKR1C3ALDH1A1TSHRRECQL
SCHEMBL18173124 0.83 KDM1A (0.35) KDM1AAKR1C3ALDH1A1TSHRRECQL

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 5 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
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 2/4885AKR1C3 2059/4885ELANE 4087/4885

“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.