SCHEMBL21810428

SCHEMBL21810428

COC(=O)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 2/20 0.57
▸ ATM Q13315 1/20 0.56
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ KRAS P01116 7/20 0.51
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMB5 P28074 1/20 0.40

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
SCHEMBL21810438 0.88 KDM4E (0.48) NTSR1ATMKRASHDAC8HDAC6
SCHEMBL4485443 0.86 NTSR1 (0.52) NTSR1ATMHTR2AHTR2CKRAS
SCHEMBL23810852 0.85 NTSR1 (0.51) NTSR1ATMHTR2AHTR2CKRAS
SCHEMBL19674140 0.84 ATM (0.57) NTSR1ATMHTR2AHTR2CHDAC8
SCHEMBL9200019 0.84 MTNR1A (0.60) ATMHTR2CHDAC8HDAC6HDAC11
SCHEMBL5449877 0.84 ATM (0.57) NTSR1ATMHDAC8HDAC6HDAC11
SCHEMBL14876504 0.82 NTSR1 (0.57) NTSR1ATMHTR2CHDAC8HDAC6
SCHEMBL5637363 0.82 ATM (0.56) NTSR1ATMHTR2CHDAC8HDAC6
SCHEMBL418013 0.81 KMT2A (0.60) NTSR1HTR2AHTR2CKRASHTR7
SCHEMBL14594510 0.81 ATM (0.55) ATMHDAC8HDAC6HDAC11MTNR1A

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
EP-3596051-B1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD (IN) 2022-04-27 — — EP disclosed
US-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF IMPETIS BIOSCIENCES LIMITED (IN) 2020-03-19 — — 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 (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-20200087281-A1 FUSED BICYCLIC COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF GPR119, GPR65, GPR88 NTSR1 121/4885ATM 4224/4885HTR2A 169/4885

“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.

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