SCHEMBL12417427

SCHEMBL12417427

ClNCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
CNR1 P21554 1/20 0.47
HDAC2 Q92769 2/20 0.47
MMP12 P39900 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
TAAR1 Q96RJ0 2/20 0.46
HDAC1 Q13547 1/20 0.46
HIF1A Q16665 2/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.45
KDM1A O60341 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL245155 0.86 SIGMAR1 (0.60) SIGMAR1TAAR1ATMNPC1KDM1A
SCHEMBL28382343 0.84 SIGMAR1 (0.58) SIGMAR1TAAR1ATMNPC1KDM1A
Hydrochloric Acid SCHEMBL10923920 0.84 SIGMAR1 (0.58) SIGMAR1TAAR1ATMNPC1KDM1A
SCHEMBL12418572 0.82 AGXT (0.47) FFAR1SIGMAR1TAAR1HIF1AATM
SCHEMBL30869989 0.79 HDAC2 (0.60) FFAR1HDAC2SIGMAR1TAAR1HDAC1
SCHEMBL1108508 0.78 TAAR1 (0.75) FFAR1MMP12SIGMAR1TAAR1HIF1A
SCHEMBL9826765 0.77 HTR2A (0.62) FFAR1HDAC2MMP12SIGMAR1TAAR1
SCHEMBL5551465 0.76 FFAR1 (0.60) FFAR1MMP12TAAR1ALDH1A1LMNA
SCHEMBL29448264 0.76 FFAR1 (0.50) FFAR1HDAC2MMP12TAAR1HDAC1
SCHEMBL13473653 0.75 SIGMAR1 (0.52) FFAR1MMP12SIGMAR1TAAR1ATM

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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT FFAR1 1489/4885CNR1 1861/4885HDAC2 796/4885

“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.