SCHEMBL16978735

SCHEMBL16978735

Cc1ccc(C)c(N2C=[N+](c3cc(C)ccc3C)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SLC18A3 Q16572 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 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
SCHEMBL3420613 0.77 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL818463 0.73 ADRB1 (0.40) MEN1KMT2AALDH1A1MAPTSLC18A3
SCHEMBL1950899 0.73 HTT (0.37) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL1950329 0.69 ADRB1 (0.36) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL3162979 0.64 SLC18A3 (0.57) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL28188649 0.64 SLC18A3 (0.57) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL16727174 0.62 SLC18A3 (0.55) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL16141627 0.62 HSD17B10 (0.46) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL13292998 0.61 MEN1 (0.57) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL19865053 0.60 SLC18A3 (0.49) HSD17B10TSHRMEN1KMT2AALDH1A1

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-9221042-B2 Metal complexes, especially the ruthenium complexes, and use thereof APEIRON SYNTHESIS S.A. (PL) 2015-12-29 — — US disclosed
US-20150217283-A1 NOVEL METAL COMPLEXES, ESPECIALLY THE RUTHENIUM COMPLEXES, AND USE THEREOF APEIRON SYNTHESIS S.A. (PL) 2015-08-06 — — 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-20150217283-A1 NOVEL METAL COMPLEXES, ESPECIALLY THE RUTHENIUM COMPLEXES, AND USE THEREOF ABCB7, AP1M1, NDUFS5 HSD17B10 344/4885TSHR 4733/4885MEN1 536/4885

“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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