SCHEMBL287109

SCHEMBL287109

O=C(CN1C=C(Br)CC(c2cc(-c3ccccc3)n[nH]2)=C1)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 3/20 0.37
HCRTR1 O43613 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
COMT P21964 1/20 0.34
MELK Q14680 1/20 0.34

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
SCHEMBL297726 0.84 MAPT (0.38) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
SCHEMBL27871679 0.81 POLB (0.36) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
SCHEMBL298661 0.75 KMT2A (0.37) MAPTRAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5365087 0.69 KMT2A (0.42) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
SCHEMBL297066 0.69 SMN1; SMN2 (0.37) MAPTSMN1; SMN2KDM4EHPGDMAPK1
Hydrochloric Acid SCHEMBL6596513 0.67 RAB9A (0.43) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
SCHEMBL660685 0.67 ALDH1A1 (0.40) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL27871685 0.67 POLB (0.36) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
Hydrochloric Acid SCHEMBL6596505 0.65 RAB9A (0.40) MAPTRAB9ANPC1HCRTR1SMN1; SMN2
SCHEMBL659986 0.64 NPC1 (0.35) MAPTRAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT MAPT 61/4885RAB9A 2179/4885NPC1 1176/4885

“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.