SCHEMBL7605572

SCHEMBL7605572

O=S(=O)(CCO)CCNc1nc(-c2ccco2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.67
PDE5A O76074 5/20 0.61
MAPK1 P28482 1/20 0.50
KDM1A O60341 1/20 0.47
REN P00797 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
HTT P42858 2/20 0.43

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
SCHEMBL23747957 0.87 PDE5A (0.70) GBA1PDE5AMAPK1KDM1AREN
SCHEMBL7611433 0.83 MAPK1 (0.53) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL7606552 0.81 MAPK1 (0.49) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL7606590 0.81 KDM4E (0.62) PDE5AMAPK1MEN1KMT2AALDH1A1
SCHEMBL7605370 0.81 MAPK1 (0.51) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL7611453 0.81 PDE5A (0.62) GBA1PDE5AMAPK1KDM1AREN
SCHEMBL7612728 0.81 PDE5A (0.62) GBA1PDE5AMAPK1KDM1AREN
SCHEMBL7606535 0.80 METAP1 (0.64) GBA1PDE5AMAPK1MEN1KMT2A
SCHEMBL7610174 0.79 PDE5A (0.60) GBA1PDE5AMAPK1KDM1AREN
SCHEMBL7605588 0.79 GBA1 (0.75) GBA1PDE5AMAPK1KDM1AMEN1

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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 GBA1 3263/4885PDE5A 3794/4885MAPK1 2711/4885

“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.