SCHEMBL5777529

SCHEMBL5777529

O=C(CBr)c1cnc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.53
PTK2 Q05397 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.47

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
SCHEMBL12647223 0.82 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL12522917 0.82 ALDH1A1 (0.62) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL1293449 0.80 GSK3B (0.41) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL4642665 0.79 ALDH1A1 (0.69) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL27347353 0.79 ALDH1A1 (0.74) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL354679 0.77 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL5358823 0.77 ALDH1A1 (0.71) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL29623278 0.77 ALDH1A1 (1.00) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2
SCHEMBL1459295 0.76 MGAM (0.61) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL28182944 0.76 ALDH1A1 (0.54) ALDH1A1HPGDALOX15HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 WO disclosed
WO-2012168733-A1 SUBSTITUTED 8 - AMINO - IMIDAZO [1, 2-A] PYRAZINES AS ANTIBACTERIAL AGENTS UCL BUSINESS PLC (GB) 2012-12-13 WO disclosed
EP-1343780-B1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2006-09-20 EP disclosed
US-20040077655-A1 Piperazine derivatives for treatment of bacterial infections SMITHKLINE BEECHAM P.L.C. (GB) 2004-04-22 US disclosed
EP-1343780-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM PLC (GB) 2003-09-17 EP disclosed
US-6610848-B1 Platinum 1,2-enedithiolates; L2Pt(S2C2(2-pyridine)(H) wherein L2 is bis(diphenyldiphoshino)methane (dppm), 1,2-bis(diphenyldiphosphino)ethane (dppe) or 1,3-bis(diphenyldiphosphino)propane (dppp) LUMET LLC 2003-08-26 US disclosed
WO-2002050061-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF BACTERIAL INFECTIONS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-27 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-20040077655-A1 Piperazine derivatives for treatment of bacterial infections MYD88, THPO, PIGO ALDH1A1 1678/4885HPGD 122/4885ALOX15 1434/4885

“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.