SCHEMBL7420669

SCHEMBL7420669

N#Cc1ccc(N=C(c2ccccc2)c2ccccc2)c(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
KLKB1 P03952 1/20 0.35
PRSS1 P07477 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL27397367 0.89 GSK3B (0.41) GSK3BL3MBTL1SMN1; SMN2F2PLG
SCHEMBL12968160 0.87 L3MBTL1 (0.36) GSK3BL3MBTL1SMN1; SMN2F2PLG
SCHEMBL12968009 0.78 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AALDH1A1KMT2AMAPT
SCHEMBL7428081 0.78 ESR2 (0.45) GSK3BL3MBTL1SMN1; SMN2F2PLG
SCHEMBL15188909 0.78 KMT2A (0.38) GSK3BL3MBTL1SMN1; SMN2F2PLG
SCHEMBL28454906 0.76 F2 (0.38) GSK3BL3MBTL1SMN1; SMN2F2PLG
SCHEMBL4062712 0.71 CES2 (0.41) GSK3BL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL12958709 0.71 GSK3B (0.35) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL3872780 0.69 GSK3B (0.39) GSK3BALDH1A1
SCHEMBL25546046 0.68 ESR1 (0.44) GSK3BL3MBTL1SMN1; SMN2F2PLG

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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 WO disclosed
EP-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 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 (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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 GSK3B 939/4885L3MBTL1 3420/4885SMN1; SMN2 1671/4885

“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.