SCHEMBL18966735

SCHEMBL18966735

Cc1cccc(F)c1N1C=[N+](c2c(C)cccc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
P2RX7 Q99572 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE7A Q13946 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
SCHEMBL819638 0.84 ALDH1A1 (0.33) MEN1ALDH1A1HTTKMT2APOLB
Hydrochloric Acid SCHEMBL818981 0.82 ALDH1A1 (0.32) MEN1ALDH1A1HTTKMT2APOLB
SCHEMBL1947927 0.81 MEN1 (0.31) MEN1ALDH1A1LMNATSHRHTT
Hydrochloric Acid SCHEMBL1609624 0.79
SCHEMBL29602996 0.74 ALDH1A1 (0.34) MEN1ALDH1A1HTTKMT2AMAPT
SCHEMBL28731966 0.73 ALDH1A1 (0.33) MEN1ALDH1A1HTTKMT2AMAPT
SCHEMBL29603731 0.73 ALDH1A1 (0.33) MEN1ALDH1A1HTTKMT2AMAPT
SCHEMBL18966845 0.70 HTR7 (0.33) ACHEHTR7PDE7A
Hydrochloric Acid SCHEMBL23326869 0.67 GABRA1 (0.36) ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL23326872 0.67 ANPEP (0.36) MEN1ALDH1A1LMNATSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053043-A1 OLEFIN METATHESIS CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-25 US disclosed
US-10857530-B2 Olefin metathesis catalysts UMICORE AG & CO. KG (DE) 2020-12-08 US disclosed
WO-2017100585-A1 OLEFIN METATHESIS CATALYSTS MATERIA, INC. (US) 2017-06-15 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 (2 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-10857530-B2 Olefin metathesis catalysts ZDHHC7, ZDHHC2, OSBP ACHE 1252/4885HTR7 2875/4885MEN1 524/4885
US-20210053043-A1 OLEFIN METATHESIS CATALYSTS ZDHHC7, ZDHHC2, OSBP ACHE 1252/4885HTR7 2875/4885MEN1 524/4885

“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.