SCHEMBL300046

SCHEMBL300046

Cc1onc(-c2ccccn2)c1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 11/20 0.52
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ITGA5 P08648 2/20 0.42
PKM P14618 3/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39

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
SCHEMBL286093 0.84 GABRA5 (0.55) GABRA5ALDH1A1TSHRNPC1KDM4E
SCHEMBL24656022 0.78 NPC1 (0.49) GABRA5ALDH1A1TSHRNPC1KDM4E
SCHEMBL21590639 0.77 GABRA5 (0.56) GABRA5ALDH1A1ITGA5POLBL3MBTL1
SCHEMBL195699 0.77 PTGS1 (0.58) GABRA5ALDH1A1PKMGAAMEN1
SCHEMBL1777297 0.76 GABRA5 (0.61) GABRA5ITGA5
SCHEMBL21590940 0.73 GABRA1 (0.41) GABRA5ALDH1A1LMNAL3MBTL1
SCHEMBL21119516 0.73 PTGS1 (0.59) ALDH1A1LMNAPOLBKMT2A
SCHEMBL21590667 0.72 ALDH1A1 (0.36) GABRA5ALDH1A1NPC1KDM4ERAB9A
SCHEMBL21590517 0.72 LMNA (0.36) GABRA5ITGA5LMNAL3MBTL1
SCHEMBL286156 0.72 ALDH1A1 (0.45) GABRA5ALDH1A1TSHRNPC1KDM4E

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-2427459-B1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
US-8178522-B2 Thiazoles HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2427459-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127974-A1 ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286116-A1 THIAZOLES GABRA5, GABRA1, GABRA4 GABRA5 1/4885ALDH1A1 473/4885TSHR 814/4885

“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.