SCHEMBL23016646

SCHEMBL23016646

COCCOCN(N)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ILK Q13418 1/20 0.39
▸ UBE2T Q9NPD8 1/20 0.39
▸ ASIC3 Q9UHC3 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL18873116 0.88 MEN1 (0.46) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL21511146 0.81 MEN1 (0.47) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL21675474 0.80 MEN1 (0.46) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL23185838 0.76 KMT2A (0.47) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL16705692 0.76 NPC1 (0.48) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL23965742 0.76 MEN1 (0.54) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL18873507 0.75 ALOX15 (0.42) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL16851766 0.75 ATP4A (0.42) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL21233513 0.74 KMT2A (0.46) TSHRALOX15MEN1KMT2ANPC1
SCHEMBL16851750 0.74 NPC1 (0.48) TSHRALOX15MEN1KMT2ANPC1

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-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 — — US disclosed
US-10927087-B2 Method for producing polymerizable compound DIC CORPORATION (JP) 2021-02-23 — — 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-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 TSHR 4519/4885ALOX15 469/4885MEN1 786/4885
US-10927087-B2 Method for producing polymerizable compound INCENP, INF2, INHA TSHR 4492/4885ALOX15 1510/4885MEN1 1876/4885

“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.

Send feedback