SCHEMBL30452033

SCHEMBL30452033

Cc1ccc(CC(N)=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA2 P00918 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL2500952 1.00 TSHR (0.49) TSHRSMN1; SMN2CA2GABRPGABRD
Hydrochloric Acid SCHEMBL17873669 0.98 TSHR (0.47) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL575044 0.82 GABRP (0.61) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL10123136 0.82 TSHR (0.50) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL5709790 0.81 TSHR (0.54) TSHRSMN1; SMN2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7020108 0.81 GABRP (0.59) TSHRSMN1; SMN2CA2GABRPGABRD
SCHEMBL2827343 0.80 CYP1A2 (0.58) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL2091577 0.80 TSHR (0.53) TSHRSMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL15120986 0.79 TSHR (0.47) TSHRSMN1; SMN2GABRPGABRDGABRA1
SCHEMBL18291273 0.78 GABRP (0.72) SMN1; SMN2CA2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129091-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2025-04-24 US disclosed
WO-2024261328-A1 AMIDE-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
US-20240315994-A1 SMALL MOLECULE MODULATORS OF FERROPTOSIS ARPEGGIO BIOSCIENCES, INC. 2024-09-26 US disclosed
CN-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN 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-20250129091-A1 THIENOPYRROLOTRIAZINE COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC USE TPMT, TYMP, TBXA2R TSHR 360/4885SMN1; SMN2 3719/4885CA2 3131/4885
US-20240315994-A1 SMALL MOLECULE MODULATORS OF FERROPTOSIS GPX4, GPX1, AIFM2 TSHR 2012/4885SMN1; SMN2 3289/4885CA2 2566/4885

“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.