SCHEMBL81968

SCHEMBL81968

Cc1ccc(N2CCCCC2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
PSMD14 O00487 1/20 0.50
ACHE P22303 1/20 0.41
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL13285373 0.98 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTPSMD14ACHE
SCHEMBL24715765 0.89
SCHEMBL82260 0.83 CHKA (0.42) ALDH1A1KMT2AMAPTPSMD14HPGD
SCHEMBL82186 0.81 KDM4E (0.39) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL13314954 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTPSMD14ACHE
SCHEMBL7860579 0.79 AR (0.56) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL81908 0.79 ADRB1 (0.47) DRD2DRD3KCNH2CHRM2CHRM4
SCHEMBL81485 0.79 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTPSMD14KDM4E
SCHEMBL13103531 0.76 KDM4E (0.44) ALDH1A1KMT2AMAPTACHEKDM4E
SCHEMBL82200 0.76 CHRNA7 (0.47) ALDH1A1KMT2AMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 US disclosed
EP-3949963-A1 NOVEL COMPOUND AND COMPOSITION FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASES COMPRISING SAME AS ACTIVE INGREDIENT Yonsei University, University-Industry Foundation(UIF). (KR) 2022-02-09 EP disclosed
EP-2551951-B1 METHOD FOR MANUFACTURING PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL FUJIFILM CORP (JP) 2020-02-26 EP disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-9419318-B2 Method of producing photoelectric conversion element, photoelectric conversion element and photoelectrochemical cell FUJIFILM CORPORATION (JP) 2016-08-16 US disclosed
US-9419318-B2 Method of producing photoelectric conversion element, photoelectric conversion element and photoelectrochemical cell FUJIFILM CORPORATION (JP) 2016-08-16 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-20120305905-A1 METHOD OF PRODUCING PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL FUJIFILM CORPORATION (JP) 2012-12-06 US disclosed
US-20120305905-A1 METHOD OF PRODUCING PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTRIC CONVERSION ELEMENT AND PHOTOELECTROCHEMICAL CELL FUJIFILM CORPORATION (JP) 2012-12-06 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO ALDH1A1 1549/4885KMT2A 3803/4885MAPT 2408/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885KMT2A 602/4885MAPT 4043/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885KMT2A 3318/4885MAPT 3418/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 87/4885KMT2A 1086/4885MAPT 3682/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885KMT2A 602/4885MAPT 4043/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ALDH1A1 338/4885KMT2A 3318/4885MAPT 3418/4885

“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.