SCHEMBL6174758

SCHEMBL6174758

O=c1[nH]ncn1-c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 2/20 0.42
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 1/20 0.38
HSP90AA1 P07900 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17151505 0.79 HCAR1 (0.50) ALDH1A1HPGDHSD17B10POLBRAB9A
SCHEMBL5906035 0.79 HCAR1 (0.50) ALDH1A1KDM4ERAB9ATDP1HTT
SCHEMBL8721128 0.75 HCAR1 (0.55) ALDH1A1CYP1A2CYP2D6KDM4EPOLB
SCHEMBL3518937 0.74 HTT (0.62) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL6557227 0.72 CRBN (0.56) BRD4ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL7971125 0.68 KDM4E (0.47) BRD4ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL7805547 0.67 CA12 (0.54) BRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10790345 0.67 BRD4 (0.56) BRD4ALDH1A1KDM4EGAAPOLB
SCHEMBL8544900 0.66 POLB (0.65) BRD4ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8723259 0.66 TDP1 (0.42) RAB9ATDP1HTT

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 BRD4 352/4885ALDH1A1 1062/4885HPGD 1636/4885

“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.