SCHEMBL2641174

SCHEMBL2641174

O=C(C[S])NCc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.61
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
ALDH1A1 P00352 5/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
UBE2T Q9NPD8 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29838366 0.86 HPGD (0.63) HPGDPOLBATMALDH1A1HTT
SCHEMBL2641178 0.85 HPGD (0.57) HPGDPOLBATMALDH1A1HTT
SCHEMBL6030411 0.85 HPGD (0.57) HPGDPOLBATMALDH1A1HTT
SCHEMBL15195531 0.85 HPGD (0.60) HPGDPOLBATMALDH1A1HTT
SCHEMBL2939268 0.83 HPGD (0.64) HPGDPOLBATMALDH1A1HTT
SCHEMBL7723002 0.79 HTT (0.67) HPGDPOLBATMALDH1A1HTT
SCHEMBL6028427 0.79 MAPT (0.56) HPGDPOLBATMALDH1A1HTT
SCHEMBL14355816 0.79 HPGD (0.59) HPGDPOLBATMALDH1A1HTT
SCHEMBL10605461 0.78 HPGD (0.55) HPGDPOLBATMALDH1A1HTT
SCHEMBL15195148 0.78 HPGD (0.58) HPGDPOLBATMALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A HPGD 4573/4885POLB 3397/4885ATM 4559/4885

“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.