SCHEMBL23924055

SCHEMBL23924055

S=C(Nc1cccc2cnccc12)N1CCC(c2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 4/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 3/20 0.49
ROCK2 O75116 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47

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
SCHEMBL23924058 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL23951670 0.84 TRPV1 (0.54) SMN1; SMN2MAPTKMT2AMEN1KDM4E
SCHEMBL23951554 0.82 ALDH1A1 (0.48) NPC1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL30098408 0.77 CCR5 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23924217 0.77 CCR5 (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23951555 0.76 ALDH1A1 (0.50) NPC1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL23951526 0.74 KDM4E (0.47) KDM4EROCK2ALDH1A1
SCHEMBL23951672 0.74 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTGAA
SCHEMBL5659541 0.72 TRPV1 (0.56) ALDH1A1
SCHEMBL23951514 0.72 TRPV1 (0.51) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 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 (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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 NPC1 745/4885RAB9A 3317/4885SMN1; SMN2 252/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 NPC1 745/4885RAB9A 3317/4885SMN1; SMN2 252/4885

“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.