SCHEMBL7598693

SCHEMBL7598693

COC(=O)c1cc(NC(=N)c2cccs2)ccc1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
QRFPR Q96P65 1/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLB P06746 1/20 0.39
GRM4 Q14833 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7564327 0.83 QRFPR (0.46) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7570783 0.81 KMT2A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7598614 0.77 QRFPR (0.41) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7562882 0.77 KMT2A (0.51) KMT2AMEN1TSHRSMN1; SMN2NPC1
SCHEMBL7971802 0.76 QRFPR (0.41) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7563947 0.76 KMT2A (0.47) KMT2AMEN1TSHRSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7599918 0.76 QRFPR (0.40) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7564313 0.74 KMT2A (0.46) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7973635 0.74 KMT2A (0.45) KMT2AMEN1QRFPRTSHRSMN1; SMN2
SCHEMBL7564256 0.74 KMT2A (0.62) KMT2AMEN1QRFPRTSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885MEN1 2000/4885QRFPR 1455/4885

“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.