SCHEMBL6174590

SCHEMBL6174590

O=c1[nH]ncn1-c1ccc(N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 5/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MCHR1 Q99705 5/20 0.47
KCNH2 Q12809 4/20 0.47
MAP4K1 Q92918 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
SLC6A7 Q99884 1/20 0.44
MMP13 P45452 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6173722 0.92 RAB9A (0.60) RAB9ANPC1L3MBTL1MAPTLMNA
SCHEMBL7887520 0.82 DRD4 (0.60) L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL15912908 0.80 GPR119 (0.44) RAB9AMAPTHTTALDH1A1
SCHEMBL3117217 0.78 MAPT (0.52) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL735870 0.76 MAPT (0.52) RAB9ANPC1L3MBTL1MAPTHTT
SCHEMBL16046663 0.75 LTA4H (0.62) RAB9ANPC1L3MBTL1MAPTHTT
SCHEMBL8723261 0.75 ACACB (0.41) MAPTHTTALDH1A1LMNAKCNH2
SCHEMBL13202898 0.74 RAB9A (0.67) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL335477 0.74 LTA4H (0.64) MAPTHTTALDH1A1LMNA
SCHEMBL4673297 0.74 MAPT (0.50) RAB9ANPC1L3MBTL1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents RANBAXY LABORATORIES LIMITED (IN) 2005-11-24 US disclosed
EP-1497298-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES, LTD. (IN) 2005-01-19 EP disclosed
WO-2003087106-A1 DERIVATIVES OF 2,2,4-TRISUBSTITUTED TETRAHYDROFURAN AS ANTIFUNGAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2003-10-23 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-20050261330-A1 Derivatives of 2,2,4-trisubstituted tetrahydrofuran an antifungal agents ERG28, DPM1, CYP51A1 RAB9A 3748/4885NPC1 94/4885L3MBTL1 3364/4885

“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.