SCHEMBL15499705

SCHEMBL15499705

CC(c1c[nH]c2ccc(NC(=N)c3cccs3)cc12)C(C)c1c[nH]c2ccc(NC(=N)c3cccs3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
GFER P55789 1/20 0.40
TP53 P04637 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
NOS3 P29474 6/20 0.36
NOS1 P29475 6/20 0.36
NOS2 P35228 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
CYP2C19 P33261 3/20 0.36
KCNH2 Q12809 3/20 0.36
SSTR2 P30874 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 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
SCHEMBL14508371 0.94 MAPT (0.40) MAPTRAB9ANPC1GFERTP53
SCHEMBL14507884 0.86 NOS1 (0.41) MAPTRAB9ANPC1TP53NOS3
SCHEMBL1121864 0.78 NOS3 (0.58) MAPTRAB9ANPC1NOS3NOS1
SCHEMBL12857201 0.78 NOS3 (0.52) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL1121983 0.78 NOS3 (0.60) GFERNOS3NOS1NOS2CYP2D6
SCHEMBL13846432 0.77 NOS3 (0.49) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL1122146 0.77 NOS3 (0.61) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL13846440 0.76 NOS3 (0.65) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL13849967 0.76 NOS3 (0.65) NOS3NOS1NOS2CYP3A4CYP2D6
SCHEMBL1122005 0.76 HTR1D (0.64) NOS3NOS1NOS2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 US disclosed
US-9242957-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2016-01-26 US disclosed
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-11 US disclosed
US-8735606-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2014-05-27 US disclosed
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-03-06 US 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 (3 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-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 MAPT 606/4885RAB9A 3208/4885NPC1 816/4885
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 MAPT 424/4885RAB9A 3384/4885NPC1 878/4885
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 MAPT 424/4885RAB9A 3384/4885NPC1 878/4885

“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.