SCHEMBL16201837

SCHEMBL16201837

CCc1cnc(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
DHFR P00374 2/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 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
SCHEMBL24868656 0.80 NOS3 (0.44) NOS3NOS1NOS2DHFRALOX15
SCHEMBL15760110 0.77 ALOX15 (0.38) NOS3NOS1NOS2DHFRALOX15
SCHEMBL22448748 0.75 NNMT (0.42) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL31220850 0.75 KDM4E (0.47) ALOX15GABRA1GABRB2GABRPGABRD
SCHEMBL17772413 0.74 NOS3 (0.34) NOS3NOS1NOS2DHFRALOX15
SCHEMBL20906996 0.74 NR1H2 (0.35) NOS3NOS1NOS2DHFRGABRA1
SCHEMBL28321942 0.72 SRC (0.35) KDM4EALDH1A1MEN1KMT2AESR1
SCHEMBL1760478 0.72 ALOX15 (0.54) ALOX15ALOX12GABRA1GABRB2KDM4E
SCHEMBL8081930 0.70 MAPK1 (0.38) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11038842 0.69 ESR1 (0.48) ALOX15ALOX12GABRA1GABRB2KDM4E

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-9060515-B2 Heterocyclic urea compounds BIOTA EUROPE LTD. (GB) 2015-06-23 US disclosed
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS SPERO GYRASE, INC. 2014-10-30 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 (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-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS UMPS, URB2, UROD NOS3 1119/4885NOS1 995/4885NOS2 840/4885

“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.