SCHEMBL18015361

SCHEMBL18015361

C#Cc1ccccc1-c1ccc(-c2cc(C(C)(C)C)ccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NR2F2 P24468 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ ASIC3 Q9UHC3 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL19794405 0.83 NPC1 (0.40) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL27635843 0.79 KIF11 (0.40) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL18015363 0.79 ALDH1A1 (0.42) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL27344642 0.79 KIF11 (0.43) NPC1RAB9AKMT2ATRPV1ASIC3
SCHEMBL31695223 0.79 KIF11 (0.43) NPC1RAB9AKMT2ATRPV1ASIC3
SCHEMBL19933667 0.78 FAAH (0.39) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL18015301 0.78 NPC1 (0.44) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL18015600 0.78 TRPV1 (0.46) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL19794448 0.78 TRPV1 (0.46) NPC1RAB9AMEN1NR2F2KMT2A
SCHEMBL7807703 0.77 ASIC3 (0.53) NPC1MEN1KMT2ATRPV1ASIC3

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 — — US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 — — EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 — — US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 — — 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 (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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC NPC1 4039/4885RAB9A 2171/4885MEN1 2821/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 NPC1 2761/4885RAB9A 1433/4885MEN1 1212/4885

“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.

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