SCHEMBL17992107

SCHEMBL17992107

C=C(O)c1ccc(CNC2=Nc3ccccc3NC23CCCCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL17992066 0.90 ACAT2 (0.32) ACAT2
SCHEMBL17992100 0.89 MAPK10 (0.32) RAB9ANPC1LMNAHTT
SCHEMBL17992054 0.89 LMNA (0.34) LMNA
SCHEMBL17757606 0.89 ALDH1A1 (0.41) KMT2ARAB9ANPC1LMNAHTT
SCHEMBL14398518 0.89 KMT2A (0.41) ACAT2KMT2ARAB9ANPC1HTT
SCHEMBL17757467 0.89 KMT2A (0.41) ACAT2KMT2ARAB9ANPC1HTT
SCHEMBL17757653 0.89 KMT2A (0.41) ACAT2KMT2ARAB9ANPC1HTT
SCHEMBL17992105 0.89 KMT2A (0.33) ACAT2KMT2ATSHR
SCHEMBL17757634 0.87 KMT2A (0.39) ACAT2KMT2ARAB9ANPC1HTT
SCHEMBL17757431 0.86 SSTR3 (0.38) ACAT2KMT2ARAB9ALMNATSHR

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-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885KMT2A 4303/4885RAB9A 2221/4885

“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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