SCHEMBL18610932

SCHEMBL18610932

CCCCOC(=O)Cn1nc(Br)c2cc(C=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ PTGER4 P35408 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ PLA2G4A P47712 1/20 0.36
▸ APP P05067 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 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
SCHEMBL29841160 0.81 PTGER4 (0.35) KMT2ALMNAMAPTPOLBPTGER4
SCHEMBL18555054 0.81 PTGER4 (0.35) KMT2ALMNAMAPTPOLBPTGER4
SCHEMBL18555083 0.79 HSD17B10 (0.43) LMNAPTGER4ALOX15TSHRKDM4E
SCHEMBL31584632 0.77 CYP2C19 (0.49) MEN1KMT2APOLBL3MBTL1TSHR
SCHEMBL18611010 0.75 LMNA (0.53) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29355625 0.75 LMNA (0.53) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29357130 0.74 LMNA (0.52) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL11628584 0.71 CNR1 (0.43) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL31140078 0.70 PTGER4 (0.37) MEN1KMT2AMAPTPOLBPTGER4
SCHEMBL19236960 0.70 MEN1 (0.46) MEN1KMT2ALMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 MEN1 326/4885KMT2A 3874/4885LMNA 1125/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 MEN1 306/4885KMT2A 3835/4885LMNA 1087/4885

“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.

Send feedback