SCHEMBL12649504

SCHEMBL12649504

CCC(=O)Nc1nncs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.60
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ESR2 Q92731 1/20 0.56
HTT P42858 1/20 0.55
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2872394 0.83 POLB (0.58) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL8356392 0.81 POLB (0.56) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL1970389 0.81 POLB (0.56) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL19116647 0.81 LMNA (0.62) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL25478125 0.80 MAPT (0.57) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL15309318 0.77 LMNA (0.55) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL23933034 0.77 POLB (0.52) POLBLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL20603903 0.76
SCHEMBL12589251 0.76 AKT1 (0.77) KMT2ATSHRALDH1A1
SCHEMBL9931372 0.76 POLB (0.55) POLBLMNASMN1; SMN2KDM4ECYP1A2

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
CN-115716860-A 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-ones and 17-oximes 佛恩多制药有限公司 2023-02-28 CN claimed
EP-3891167-B1 ESTRA-1,3,5(10)-TRIENE COMPOUNDS CONDENSED IN POSITION 16(17) WITH A PYRAZOLE RING AS INHIBITORS OF 17-HSD1 Organon R&D Finland Oy (FI) 2024-11-13 EP disclosed
CN-115716860-A 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-ones and 17-oximes 佛恩多制药有限公司 2023-02-28 CN disclosed
CN-110945007-B 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-one compounds and 17-oximes thereof for inhibiting 17 beta-hydroxysteroid dehydrogenases 佛恩多制药有限公司 2022-11-18 CN disclosed
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 EP disclosed
WO-2017121649-A1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20110112299-A1 TETRACYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-05-12 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-20170197971-A1 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD2 POLB 3033/4885LMNA 1276/4885SMN1; SMN2 490/4885
US-20110112299-A1 TETRACYCLIC COMPOUND REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, LPXN POLB 1837/4885LMNA 1024/4885SMN1; SMN2 2991/4885

“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.