SCHEMBL3721098

SCHEMBL3721098

COc1cc2c(cc1OC)CN(C(=O)CCC1CCCNC1)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP8 Q6V1X1 3/20 0.49
DPP4 P27487 2/20 0.49
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6588272 0.79 KMT2A (0.50) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL6007696 0.79 KMT2A (0.50) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL6007689 0.79 KMT2A (0.50) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL6007647 0.78 KMT2A (0.49) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL6007653 0.78 KMT2A (0.49) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL13059438 0.76 KMT2A (0.68) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL28263863 0.75 KMT2A (0.63) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL7333685 0.74 KMT2A (0.65) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL9212186 0.73 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AMAPTROCK2
SCHEMBL14996180 0.73 KMT2A (0.67) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP claimed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US claimed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 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 (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-20090176798-A1 New compounds III GPR119, FABP4, GLP1R SMN1; SMN2 4732/4885RAB9A 4294/4885KMT2A 4202/4885

“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.