SCHEMBL17992105

SCHEMBL17992105

C=C(O)c1cccc(CNC2=Nc3ccccc3NC23CCCCC3)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ PPM1D O15297 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ACAT2 Q9BWD1 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ TSHR P16473 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
SCHEMBL17992084 0.91 ACAT2 (0.36) HDAC8HDAC6MRGPRX4HIF1AACAT2
SCHEMBL17992088 0.90 LMNA (0.33) HDAC8HDAC6MRGPRX4HIF1A
SCHEMBL17992112 0.90 HDAC8 (0.32) HDAC8HDAC6MRGPRX4HIF1APARP1
SCHEMBL17757867 0.90 PPM1D (0.44) KMT2APPM1DHDAC8HDAC6MRGPRX4
SCHEMBL17992107 0.89 ACAT2 (0.34) KMT2AACAT2TSHR
SCHEMBL14398518 0.86 KMT2A (0.41) KMT2AACAT2TSHR
SCHEMBL17757467 0.86 KMT2A (0.41) KMT2AACAT2TSHR
SCHEMBL17757653 0.86 KMT2A (0.41) KMT2AACAT2TSHR
SCHEMBL19523254 0.85 TDO2 (0.39) HDAC8HDAC6PARP1
SCHEMBL19934614 0.85 HIF1A (0.44) PPM1DHIF1APARP1TSHR

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 KMT2A 4303/4885PPM1D 1502/4885HDAC8 940/4885

“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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