SCHEMBL7570044

SCHEMBL7570044

CC(C)Oc1ccc(NC(=N)c2cccs2)cc1CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
QRFPR Q96P65 2/20 0.43
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
RECQL P46063 1/20 0.39
ACKR3 P25106 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL7565017 0.89 QRFPR (0.52) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL7570402 0.88 QRFPR (0.51) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL7562379 0.84 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7563753 0.84 QRFPR (0.43) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL7570769 0.83 QRFPR (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7971573 0.83 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7568742 0.82 QRFPR (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7570363 0.82 KMT2A (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7565732 0.82 KMT2A (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL7570873 0.82 KDM4E (0.52) ALDH1A1KMT2AMEN1PKMSMN1; 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
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 claimed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO claimed
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
WO-2001046170-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-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 ALDH1A1 784/4885KMT2A 1679/4885MEN1 3127/4885

“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.