SCHEMBL23923858

SCHEMBL23923858

NC1COc2cc(N3CCNCC3)c(F)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRL1 P41146 3/20 0.36
▸ ADRB1 P08588 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TOP2B Q02880 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL8250899 0.75 ALDH1A1 (0.49) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20731975 0.74 HTT (0.41) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8250693 0.69 ADRB1 (0.44) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6582872 0.69 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL658998 0.69 HRH3 (0.43) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL20731201 0.69 ALDH1A1 (0.44) ALDH1A1MAPTLMNAGAAADRB1
SCHEMBL30059728 0.68 MAPT (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL8070794 0.68 ALDH1A1 (0.51) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL11295489 0.66 ALDH1A1 (0.50) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL28943954 0.66 MAPT (0.45) ALDH1A1MAPTLMNAGAASMN1; SMN2

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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 — — 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-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 ALDH1A1 2167/4885MAPT 2661/4885LMNA 3132/4885

“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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