SCHEMBL21959077

SCHEMBL21959077

CSCC(=O)N1CCN(c2ccc(-c3nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)nc(-c4ccc(N5CCN(C(=O)CC(C)C)CC5)cc4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ POLB P06746 7/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TP53 P04637 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21955417 0.93 KMT2A (0.54) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL25839451 0.79 MAPT (0.53) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL23544870 0.78 KDM4E (0.56) MAPTPOLBKDM4ECYP2C9CYP2C19
SCHEMBL21955418 0.78 MAPT (0.58) MAPTPOLBKMT2AKDM4ECYP2C19
SCHEMBL2767991 0.76 ME2 (0.58) MAPTPOLBKMT2AKDM4ECYP2C9
SCHEMBL25443711 0.76 POLB (0.55) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL21876102 0.75 CKS1B (0.49) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL25840501 0.75 MAPT (0.64) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL14444869 0.75 KDM4E (0.75) MAPTKMT2AMEN1KDM4ECYP2C9
SCHEMBL2766451 0.73 POLB (0.67) MAPTPOLBKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 — — 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-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID MAPT 4071/4885POLB 3964/4885KMT2A 4757/4885

“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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