SCHEMBL15499644

SCHEMBL15499644

N=C(Nc1cccc(OCCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
MAPT P10636 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 2/20 0.49
ADRB2 P07550 1/20 0.49
THRB P10828 1/20 0.43
FAAH O00519 1/20 0.43
PRSS1 P07477 2/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL15499643 0.96 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL6962792 0.82 KCNK3 (0.54) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15498192 0.82 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL4627398 0.81 KMT2A (0.44) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15499582 0.80 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15499583 0.80 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL18994857 0.78 CHRNB4 (0.55)
SCHEMBL9036988 0.78 MEN1 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15499631 0.78 NPC1 (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL15499632 0.77 MAPT (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 12 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-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-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-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-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-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
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 SMN1; SMN2 89/4885RAB9A 3208/4885NPC1 816/4885
US-20140066635-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 SMN1; SMN2 89/4885RAB9A 3384/4885NPC1 878/4885
US-20140256958-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Inhibitors NOS2, NOS1, NOS3 SMN1; SMN2 89/4885RAB9A 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.