SCHEMBL17834009

SCHEMBL17834009

C=CC(=O)Oc1ccc(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
HPGD P15428 4/20 0.53
NPC1 O15118 3/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
THRB P10828 2/20 0.47
GFER P55789 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
CYP1B1 Q16678 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ELANE P08246 2/20 0.44
PKM P14618 1/20 0.43
KCNK3 O14649 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
SCHEMBL28271336 0.88 ELANE (0.50) RAB9AHPGDKMT2AMEN1ALDH1A1
SCHEMBL1263952 0.86 THRB (0.54) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL4526045 0.85 HPGD (0.61) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL21467140 0.82 ALDH1A1 (0.46) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL13586656 0.79 ELANE (0.45) HPGDKMT2AMEN1ALDH1A1MAPT
SCHEMBL8835461 0.79 ELANE (0.56) RAB9ANPC1KMT2ATHRBSMN1; SMN2
SCHEMBL39494 0.78 ELANE (0.65) NPC1KMT2AMEN1ALDH1A1THRB
Trimethylammonium SCHEMBL28842333 0.78 THRB (0.51) RAB9AHPGDKMT2AMEN1ALDH1A1
SCHEMBL21657894 0.78 NPC1 (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL11556448 0.78 MAPT (0.50) RAB9AHPGDNPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10444249-B2 Ion sensor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-10-15 US disclosed
US-20160169920-A1 ION SENSOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-16 US disclosed
US-20160169920-A1 ION SENSOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2016-06-16 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 (2 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-20160169920-A1 ION SENSOR ORAI1, CACNA1E, NCS1 RAB9A 2127/4885HPGD 4752/4885NPC1 4556/4885
US-10444249-B2 Ion sensor ORAI1, NCS1, CACNA1E RAB9A 1795/4885HPGD 4835/4885NPC1 4122/4885

“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.