SCHEMBL22279544

SCHEMBL22279544

CCC(=O)c1cc2n(c1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
KMT2A Q03164 2/20 0.35
ABCB1 P08183 1/20 0.35
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL20346931 0.81 ATM (0.38) MAPTALDH1A1HPGDTSHRL3MBTL1
SCHEMBL25318763 0.80 RAB9A (0.45) MAPTALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL1393022 0.80 ALDH1A1 (0.39) MAPTALDH1A1HPGDPOLBTDP1
SCHEMBL22279545 0.79 HRH3 (0.41) ALDH1A1HPGDTSHRSIGMAR1KMT2A
SCHEMBL1393185 0.77 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDTSHRL3MBTL1
SCHEMBL21570231 0.75 ALDH1A1 (0.37) MAPTALDH1A1HPGDPOLBTDP1
SCHEMBL21570233 0.72 SMN1; SMN2 (0.41) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL12044892 0.70 NPC1 (0.34) MAPTALDH1A1POLBSIGMAR1KMT2A
SCHEMBL14704043 0.67 DRD3 (0.39) MAPTALDH1A1HPGDKMT2AMAPK1
SCHEMBL4966607 0.67 KMT2A (0.33) MAPTALDH1A1HPGDTSHRPOLB

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
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 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 (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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 MAPT 1437/4885ALDH1A1 1869/4885HPGD 976/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 MAPT 1437/4885ALDH1A1 1869/4885HPGD 976/4885

“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.