SCHEMBL1458784

SCHEMBL1458784

CCn1nc(-c2ccccc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
STAT3 P40763 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43

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
SCHEMBL23402684 0.86 ALDH1A1 (0.46) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL7041015 0.84 SMN1; SMN2 (0.66) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL12744772 0.84 MAPT (0.40) SMN1; SMN2POLBMAPTALDH1A1MAPK1
SCHEMBL23400704 0.84 MEN1 (0.49) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL16664794 0.83 CTSS (0.44) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL23398474 0.83 NPC1 (0.46) SMN1; SMN2POLBLMNAALDH1A1TP53
SCHEMBL23400340 0.83 NR1H3 (0.50) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL12744791 0.82 CYP2C9 (0.54) POLBMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL26389416 0.82 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL23401568 0.81 SMN1; SMN2 (0.43) SMN1; SMN2POLBMAPTMEN1KMT2A

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E SMN1; SMN2 2800/4885POLB 4868/4885MAPT 2068/4885

“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.