SCHEMBL19218490

SCHEMBL19218490

c1cc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc(-c2ccc3c(c2)sc2ccccc23)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
PDK2 Q15119 1/20 0.30

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
SCHEMBL19218484 0.97 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218470 0.97 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218486 0.95 PIM3 (0.31) ALOX5PDK2
SCHEMBL19218472 0.95 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218557 0.94 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17550834 0.93 PDK2 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24646995 0.93 PDK2 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218485 0.91 GPR3 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218474 0.91 GPR3 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19218482 0.91 ALOX5 (0.44) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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-20170229649-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, LEF1, PIEZO1 ALDH1A1 144/4885MAPT 1677/4885HPGD 3746/4885

“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.