SCHEMBL29620797

SCHEMBL29620797

c1cnc2nc(-c3ccc4c(c3)OCCCO4)cn2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.81
KDM4E B2RXH2 15/20 0.81
RAB9A P51151 12/20 0.81
NPC1 O15118 10/20 0.81
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 7/20 0.58
PKM P14618 2/20 0.58
HPGD P15428 10/20 0.57
GLA P06280 7/20 0.55
HSD17B10 Q99714 6/20 0.55
GAA P10253 10/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 3/20 0.54
GFER P55789 1/20 0.54
USP2 O75604 2/20 0.54
ESR1 P03372 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL23407685 1.00 ALDH1A1 (0.81) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23407686 0.95 ALDH1A1 (0.85) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23407556 0.90 KDM4E (1.00) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23407619 0.84 ALDH1A1 (0.68) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23407590 0.76 KDM4E (0.57) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL6390060 0.74 RAB9A (1.00) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL1494834 0.72 KDM4E (0.83) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5305847 0.72 ALDH1A1 (0.76) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL3671367 0.72 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17626720 0.72 NPC1 (0.58) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 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 (2 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-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 ALDH1A1 1908/4885KDM4E 4533/4885RAB9A 802/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS ALDH1A1 3982/4885KDM4E 3363/4885RAB9A 512/4885

“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.