SCHEMBL18935280

SCHEMBL18935280

C1=Cc2ccccc2NN=1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL18935530 0.72 CA12 (0.31)
SCHEMBL21401297 0.71 SMN1; SMN2 (0.35) GAAMAPT
SCHEMBL8527496 0.70 GAA (0.33) GAAMAPT
SCHEMBL55652 0.70 GAA (0.43) GAAMAPT
SCHEMBL207832 0.70 GAA (0.33) GAAMAPT
SCHEMBL19273481 0.67 ALDH1A1 (0.36) GAAMAPT
SCHEMBL3093836 0.62 BCHE (0.32)
SCHEMBL30082351 0.61 GAA (0.48) GAAMAPT
SCHEMBL1505206 0.61 GAA (0.48) GAAMAPT
SCHEMBL7276238 0.60 GAA (0.37) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634421-B2 Aryl substituted bicyclic compounds as herbicides FMC CORPORATION (US) 2023-04-25 US disclosed
US-20230118497-A1 PYRAZOLE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-04-20 US disclosed
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides FMC CORPORATION (US) 2021-11-23 US disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-10889569-B2 Condensed ring group azacyclobutyl triazole derivative, preparation method therefor and use thereof in medicine JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-01-12 US disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-10653148-B2 2020-05-19 US disclosed
US-20200031836-A1 ARYL SUBSTITUTED BICYCLIC COMPOUNDS AS HERBICIDES FMC CORP (US) 2020-01-30 US disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORPORATION 2018-08-02 US disclosed
US-20180077931-A1 BUTYROLACTONES AS HERBICIDES FMC CORPORATION 2018-03-22 US disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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 (12 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 GAA 3340/4885MAPT 693/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 GAA 3340/4885MAPT 693/4885
US-20180077931-A1 BUTYROLACTONES AS HERBICIDES CYP1B1, CYP1A1, DDT GAA 1500/4885MAPT 3535/4885
US-20230118497-A1 PYRAZOLE-CONTAINING POLYCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 GAA 3028/4885MAPT 2783/4885
US-10653148-B2 CYP1B1, CYP1A1, C5 GAA 1594/4885MAPT 4185/4885
US-20200031836-A1 ARYL SUBSTITUTED BICYCLIC COMPOUNDS AS HERBICIDES CYP1B1, CYP1A1, CBR3 GAA 1102/4885MAPT 4434/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG GAA 1492/4885MAPT 1294/4885
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS GAA 2061/4885MAPT 3393/4885
US-11634421-B2 Aryl substituted bicyclic compounds as herbicides CYP1B1, CYP1A1, CBR3 GAA 1102/4885MAPT 4434/4885
US-11178873-B2 Cyclic N-carboxamide compounds useful as herbicides CHRM2, NIT2, CHRM1 GAA 1846/4885MAPT 4016/4885
US-20180213788-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES CHRM2, NIT2, CHRM1 GAA 1846/4885MAPT 4016/4885
US-10889569-B2 Condensed ring group azacyclobutyl triazole derivative, preparation method therefor and use thereof in medicine OXTR, CRH, ADCYAP1R1 GAA 3917/4885MAPT 3076/4885

“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.