SCHEMBL179064

SCHEMBL179064

Cn1c(O)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
ATM Q13315 1/20 0.57
KDM4E B2RXH2 7/20 0.55
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
GAA P10253 3/20 0.49
PKM P14618 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.49
CASP6 P55212 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1171430 0.77 MEN1 (0.69) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL1053419 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL4314000 0.76 LMNA (0.50) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL353890 0.76 SMN1; SMN2 (0.63) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL149707 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4ERAB9ANPC1
Ammonia Solution, Strong SCHEMBL19182582 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4ERAB9ANPC1
Bromide SCHEMBL11628983 0.74 LMNA (0.49) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL8395946 0.74 NOS2 (0.61) SMN1; SMN2ATMKDM4ERAB9ANPC1
Bromide SCHEMBL5318089 0.74 SMN1; SMN2 (0.61) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL8956213 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ATMKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
US-11541046-B2 Spirolactone compounds QUIXGEN, INC. (US) 2023-01-03 US disclosed
US-20210145822-A1 Novel Spirolactone Compounds QUIXGEN, INC. (US) 2021-05-20 US disclosed
WO-2019006324-A1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN, INC. (US) 2019-01-03 WO disclosed
EP-2881394-A1 CONDENSED RING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-06-10 EP disclosed
US-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-03-08 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (6 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-11541046-B2 Spirolactone compounds ACACA, AKR1C2, AKR1A1 SMN1; SMN2 3511/4885ATM 674/4885KDM4E 4368/4885
US-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES AOC3, AOC2, OCIAD1 SMN1; SMN2 3669/4885ATM 4648/4885KDM4E 4846/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 SMN1; SMN2 4263/4885ATM 4570/4885KDM4E 3467/4885
US-20210145822-A1 Novel Spirolactone Compounds ACACA, HSD17B10, AKR1C2 SMN1; SMN2 3594/4885ATM 826/4885KDM4E 4385/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 SMN1; SMN2 3511/4885ATM 674/4885KDM4E 4368/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 SMN1; SMN2 4711/4885ATM 3884/4885KDM4E 3447/4885

“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.