SCHEMBL5733688

SCHEMBL5733688

[c]1ccc2cnn(Cc3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.66
TSHR P16473 1/20 0.43
BRD4 O60885 2/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A1 P19634 1/20 0.38
GRM2 Q14416 1/20 0.38
KMO O15229 1/20 0.38
SCN9A Q15858 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1095695 0.88 RECQL (0.66) RECQLTSHRBRD4CYP1A2ALDH1A1
SCHEMBL694562 0.85 RECQL (0.46) RECQLTSHRBRD4CYP1A2HTT
SCHEMBL17044159 0.81 GRIN1 (0.47) RECQLBRD4CYP1A2ALDH1A1CYP19A1
SCHEMBL28716990 0.80 RECQL (0.69) RECQLTSHRBRD4CYP1A2HSD17B10
SCHEMBL248214 0.80 RECQL (1.00) RECQLTSHRBRD4CYP1A2ALDH1A1
SCHEMBL30346162 0.80 RECQL (1.00) RECQLTSHRBRD4CYP1A2ALDH1A1
SCHEMBL17044140 0.77 ALDH1A1 (0.44) RECQLTSHRCYP1A2ALDH1A1HTT
SCHEMBL16617171 0.77 CYP1A2 (0.39) RECQLTSHRCYP1A2HSD17B10KMO
SCHEMBL188240 0.77 CYP1A2 (0.39) RECQLTSHRCYP1A2HTTHSD17B10
SCHEMBL18131298 0.74 RECQL (0.47) RECQLCYP1A2ALDH1A1KDM4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874353-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-06-14 CN claimed
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-09-01 US claimed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN claimed
WO-2020239856-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 WO claimed
CN-113874353-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-06-14 CN disclosed
EP-3752492-B1 FUNGICIDAL OXADIAZOLES BAYER AG (DE) 2022-12-21 EP disclosed
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-09-01 US disclosed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN disclosed
US-20210009541-A1 FUNGICIDAL OXADIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
WO-2020239856-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-12-03 WO disclosed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP disclosed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 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 (3 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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 RECQL 443/4885TSHR 297/4885BRD4 148/4885
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES MPO, MSR1, PRF1 RECQL 3624/4885TSHR 2631/4885BRD4 3990/4885
US-20210009541-A1 FUNGICIDAL OXADIAZOLES OXA1L, CYP51A1, CYP4X1 RECQL 3914/4885TSHR 3891/4885BRD4 2222/4885

“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.