SCHEMBL17818863

SCHEMBL17818863

NCC[C@@H]1C[C@@H]2C=C[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 4/20 0.33
LMNA P02545 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
HRH2 P25021 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.30
PKM P14618 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
SCHEMBL12112124 1.00 KDM4E (0.43) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL2510265 1.00 KDM4E (0.43) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL1305073 0.87 KDM4E (0.41) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL1012047 0.85 KDM4E (0.48) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL5604512 0.85 KDM4E (0.40) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL13346735 0.84 KDM4E (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL13346743 0.84 KDM4E (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL5898956 0.84 KDM4E (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL13346755 0.84 KDM4E (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL13346749 0.84 KDM4E (0.39) KDM4EALDH1A1TSHRMEN1KMT2A

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
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US 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 (4 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885ALDH1A1 2404/4885TSHR 2658/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4E 2136/4885ALDH1A1 2484/4885TSHR 2385/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 KDM4E 2549/4885ALDH1A1 2404/4885TSHR 2658/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 KDM4E 2136/4885ALDH1A1 2484/4885TSHR 2385/4885

“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.