SCHEMBL22984313

SCHEMBL22984313

Cc1ccc2nc(C)c(C(=O)NCc3ccc4c(c3)CCCO4)n2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 3/20 0.48
CHRM4 P08173 2/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
METTL3 Q86U44 1/20 0.40
EGLN1 Q9GZT9 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
SCHEMBL22984245 0.94 HTT (0.55) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984271 0.93 SMN1; SMN2 (0.54) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984369 0.88 SMN1; SMN2 (0.66) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984256 0.87 SMN1; SMN2 (0.55) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984316 0.83 CHRM4 (0.49) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984293 0.81 HTT (0.52) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL18642139 0.81 SMN1; SMN2 (0.58) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984314 0.81 CYP2C9 (0.59) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984312 0.81 SMN1; SMN2 (0.51) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL22984356 0.80 HTT (0.55) HTTSMN1; SMN2LMNAL3MBTL1ALDH1A1

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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTT 4525/4885SMN1; SMN2 3362/4885LMNA 1620/4885

“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.