SCHEMBL12435790

SCHEMBL12435790

CN(C)C(=O)N(C)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPBAR1 Q8TDU6 5/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LIPE Q05469 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL12550518 0.91 POLB (0.50) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL21305532 0.89 SMN1; SMN2 (0.48) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL11176346 0.82 ALDH1A1 (0.43) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL16435030 0.81 ALDH1A1 (0.46) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL2095575 0.80 ALDH1A1 (0.48) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL8986913 0.80 ALDH1A1 (0.48) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL692996 0.80 ALDH1A1 (0.48) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL198522 0.80 FSCN1 (0.55) ALDH1A1POLBTDP1TSHRCHRNB2
SCHEMBL11046065 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPTSMN1; SMN2GPBAR1
SCHEMBL9254666 0.80 APP (0.42) ALDH1A1MAPTSMN1; SMN2GPBAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896861-A Dicyandiamide cured epoxy resin suitable for out-of-tank molding and preparation method thereof 中航复合材料有限责任公司 2022-01-07 CN claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
CN-113896861-A Dicyandiamide cured epoxy resin suitable for out-of-tank molding and preparation method thereof 中航复合材料有限责任公司 2022-01-07 CN disclosed
CN-112226039-A Resin matrix for LDS (laser direct structuring) process, preparation method and prepreg 江苏澳盛复合材料科技有限公司 2021-01-15 CN disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B ALDH1A1 3648/4885POLB 3271/4885TDP1 4445/4885

“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.