SCHEMBL5139546

SCHEMBL5139546

C=CCSc1ccnc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
HPGD P15428 4/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
IDH1 O75874 1/20 0.41
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6613819 0.76 HSP90AA1 (0.43) L3MBTL1HPGDMEN1KMT2AHTT
SCHEMBL11060073 0.73 GAA (0.43) L3MBTL1HPGDMEN1KMT2AGAA
SCHEMBL5139622 0.72 IDH1 (0.41) L3MBTL1HPGDMEN1KMT2AGAA
SCHEMBL3647399 0.71 NPC1 (0.61) L3MBTL1HPGDMEN1KMT2AALDH1A1
SCHEMBL2874801 0.71 NPC1 (0.61) L3MBTL1HPGDMEN1KMT2AALDH1A1
SCHEMBL10848424 0.70 KDM4E (0.39) L3MBTL1HPGDMEN1KMT2AGAA
SCHEMBL27731634 0.69 NPC1 (0.40) L3MBTL1MEN1KMT2AIDH1ALDH1A1
Hydrogen Sulfide SCHEMBL27801563 0.69 NPC1 (0.59) L3MBTL1HPGDMEN1KMT2AALDH1A1
SCHEMBL25954381 0.69 ALDH1A1 (0.51) L3MBTL1HPGDMEN1KMT2AGAA
SCHEMBL6935644 0.68 SMN1; SMN2 (0.54) L3MBTL1HPGDMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US claimed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 WO claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 US disclosed
CN-1468232-A Heterocyclic sodium/proton exchange inhibitors and method ����˹�ж�-����˹˹������˾ 2004-01-14 CN disclosed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
WO-2001027107-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 L3MBTL1 1613/4885HPGD 213/4885MEN1 3121/4885

“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.