SCHEMBL7598614

SCHEMBL7598614

N=C(Nc1ccc(C2CCCC2)c(CO)c1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 2/20 0.41
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 7/20 0.38
NPC1 O15118 5/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK14 Q16539 1/20 0.37
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7971802 0.89 QRFPR (0.41) QRFPRHSD17B10RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL7599918 0.88 QRFPR (0.40) QRFPRHSD17B10RAB9ANPC1MAPT
SCHEMBL7600914 0.85 QRFPR (0.39) QRFPRHSD17B10RAB9ANPC1MAPT
SCHEMBL7598793 0.83 LMNA (0.42) QRFPRMAPTLMNASMN1; SMN2MEN1
SCHEMBL7600302 0.83 LMNA (0.42) QRFPRMAPTLMNASMN1; SMN2MEN1
SCHEMBL7568582 0.81 QRFPR (0.46) QRFPRRAB9ANPC1MAPTLMNA
SCHEMBL7598693 0.77 KMT2A (0.47) QRFPRHSD17B10RAB9ANPC1MAPT
SCHEMBL7562849 0.76 KMT2A (0.53) QRFPRHSD17B10RAB9ANPC1MAPT
SCHEMBL7694217 0.76 MAPK1 (0.41) QRFPRRAB9ANPC1MAPTLMNA
SCHEMBL14404486 0.75 NOS3 (0.46) CYP3A4CYP2D6CYP2C19

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 QRFPR 1455/4885HSD17B10 324/4885RAB9A 3673/4885

“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.