SCHEMBL21046473

SCHEMBL21046473

COCOc1cc(Br)cc(F)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.37
LMNA P02545 2/20 0.35
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 1/20 0.34
ACLY P53396 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
BACE1 P56817 3/20 0.31
CYP2C9 P11712 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16268750 0.86 ERN1 (0.36) ERN1LMNAPRKDCALDH1A1CYP2C19
SCHEMBL16269517 0.84 LMNA (0.51) ERN1LMNAALDH1A1CYP2C19CYP1A2
SCHEMBL1630491 0.82 ERN1 (0.50) ERN1LMNAPRKDCALDH1A1CYP2C19
Ammonia Solution, Strong SCHEMBL16268999 0.80 ERN1 (0.49) ERN1LMNAPRKDCALDH1A1CYP2C19
SCHEMBL29303386 0.80 AAK1 (0.36) ERN1LMNAPRKDCALDH1A1CYP2C19
SCHEMBL25340829 0.78 KDM1A (0.35) CYP2C19ACLYCYP3A4CYP2D6TSHR
SCHEMBL29509739 0.78 KDM1A (0.35) CYP2C19ACLYCYP3A4CYP2D6TSHR
SCHEMBL16269289 0.78 ALDH1A1 (0.39) ERN1LMNAALDH1A1CYP1A2CYP2C9
SCHEMBL28924967 0.77 ERN1 (0.36) ERN1LMNAPRKDCALDH1A1CYP2C19
SCHEMBL17441687 0.76 NPC1 (0.47) ERN1LMNAALDH1A1MAPTHPGD

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-3494118-B1 NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-06-21 EP disclosed
CN-107686486-B Nitrogenous tricyclic compound and application thereof in medicine 广东东阳光药业有限公司 2020-12-22 CN disclosed
US-10562910-B2 Nitrogen-containing tricyclic compounds and uses thereof in medicine NORTH & SOUTH BROTHER PHARMACY INVESTMENT COMPANY LIMITED (HK) 2020-02-18 US disclosed
US-20190169203-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-06-06 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 (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-10562910-B2 Nitrogen-containing tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 ERN1 2220/4885LMNA 2905/4885PRKDC 3100/4885
US-20190169203-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 ERN1 2220/4885LMNA 2905/4885PRKDC 3100/4885

“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.