SCHEMBL18459013

SCHEMBL18459013

CNCc1ccc(F)c(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.37
CYP3A4 P08684 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PRMT6 Q96LA8 3/20 0.36
HTR7 P34969 2/20 0.36
NCF1 P14598 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CARM1 Q86X55 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
NOS1 P29475 1/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 3/20 0.33

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
SCHEMBL25961018 0.85 PTGS1 (0.38) ADRA2AADRA2BADRA2CLOXL2CYP3A4
SCHEMBL8205756 0.79 CYP1A2 (0.42) ADRA2AADRA2BADRA2CMAPTTAAR1
SCHEMBL24107396 0.78 LMNA (0.41) KDM4E
SCHEMBL1585868 0.78 KDM1A (0.44) LOXL2CYP3A4KDM4EMAPTPRMT6
SCHEMBL8179934 0.77 GSR (0.32) ADRA2AADRA2BADRA2C
SCHEMBL8199653 0.77 GABRA1 (0.44) ADRA2BCYP3A4KDM4EMAPTADRB3
SCHEMBL12305567 0.77 CYP4F2 (0.46) ADRA2AADRA2BADRA2C
SCHEMBL3694809 0.77 LOXL2 (0.41) ADRA2CLOXL2TAAR1
SCHEMBL19121482 0.76 HTR7 (0.41) LOXL2CYP3A4KDM4EMAPTPRMT6
SCHEMBL27666342 0.75 ESR1 (0.48) ADRA2AADRA2BADRA2CMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 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 (4 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-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 ADRA2A 2536/4885ADRA2B 2079/4885ADRA2C 2725/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 ADRA2A 2995/4885ADRA2B 2541/4885ADRA2C 2134/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 ADRA2A 3249/4885ADRA2B 2115/4885ADRA2C 2665/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 ADRA2A 3720/4885ADRA2B 3646/4885ADRA2C 3160/4885

“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.