SCHEMBL4983073

SCHEMBL4983073

CC(C)(C)c1ccc(CNc2ccc3c4c(cccc24)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 12/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
POLB P06746 3/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 7/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL6683724 0.93 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL4983068 0.81 MEN1 (0.39) KDM4EHPGDALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4981639 0.80 MEN1 (0.38) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL29188257 0.77 ALDH1A1 (0.64) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL4981667 0.75 EPHX2 (0.43)
SCHEMBL8714067 0.70 KDM4E (0.67) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL6492811 0.68 HPGD (0.43) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL21625838 0.68 ALDH1A1 (0.57) KDM4EHPGDHSD17B10ALDH1A1MEN1
SCHEMBL6690731 0.67 CA1 (0.54) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL1242337 0.67 CA1 (0.43) MEN1KMT2ASMN1; SMN2GAALMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
WO-2004072255-A2 METHODS OF TREATING DISEASE SCION PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-6288123-B1 CENTRAL NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCES, INC. 2001-09-11 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 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-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT KDM4E 751/4885HPGD 1180/4885HSD17B10 2909/4885

“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.