Sugi Predict

Sugi Predict / Compounds / SCHEMBL7562875

SCHEMBL7562875

SCHEMBL7562875

CCC(CC)Oc1ccc(NC(=N)c2cccs2)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.40
▸ QRFPR Q96P65 2/20 0.40
▸ MEN1 O00255 9/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 7/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KLK7 P49862 2/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
Hydrochloric Acid SCHEMBL7562377 0.89 KMT2A (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7565048 0.89 KMT2A (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7562379 0.89 KMT2A (0.44) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7601237 0.88 ALDH1A1 (0.37) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7566369 0.87 QRFPR (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7598756 0.87 ALDH1A1 (0.38) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7602422 0.87 QRFPR (0.36) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7567157 0.86 QRFPR (0.39) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7599408 0.86 QRFPR (0.35) KMT2AQRFPRMEN1ALDH1A1SMN1; SMN2
SCHEMBL7602445 0.85 ALDH1A1 (0.35) KMT2AQRFPRMEN1ALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 — — US disclosed
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 (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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB KMT2A 1679/4885QRFPR 1733/4885MEN1 3127/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 KMT2A 3787/4885QRFPR 1455/4885MEN1 2000/4885

“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.