Sugi Predict

Sugi Predict / Compounds / SCHEMBL21034256

SCHEMBL21034256

SCHEMBL21034256

NNc1cccc(C(=O)OI)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL1620864 0.84 GRM5 (0.50) ALDH1A1KDM4ELMNACYP1A2GRM5
Hydrochloric Acid SCHEMBL1620862 0.83 GRM5 (0.49) ALDH1A1KDM4ELMNACYP1A2GRM5
Hydrochloric Acid SCHEMBL19584001 0.83 GRM5 (0.49) ALDH1A1KDM4ELMNACYP1A2GRM5
SCHEMBL19584255 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ELMNACYP1A2GRM5
SCHEMBL24610121 0.78 KDM4E (0.44) ALDH1A1KDM4ELMNAGRM5P2RX7
SCHEMBL19151497 0.78 KDM4E (0.62) KDM4ELMNAGRM5P2RX7MEN1
SCHEMBL29049783 0.77 P2RX7 (0.62) ALDH1A1KDM4ELMNACYP1A2GRM5
SCHEMBL21033785 0.70 CYP1A2 (0.38) ALDH1A1KDM4ECYP1A2HSD17B10KMT2A
SCHEMBL18247131 0.68 GRM5 (0.51) ALDH1A1KDM4ELMNACYP1A2GRM5
SCHEMBL29597769 0.68 GRM5 (0.51) ALDH1A1KDM4ELMNACYP1A2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 — — US disclosed
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-30 — — 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 (2 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-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF THPO, PTGIS, PYCR1 ALDH1A1 1097/4885KDM4E 3564/4885LMNA 2158/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B ALDH1A1 604/4885KDM4E 3841/4885LMNA 2278/4885

“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.