Sugi Predict

Sugi Predict / Compounds / SCHEMBL4829762

SCHEMBL4829762

SCHEMBL4829762

Cc1noc([C@H](N)Cc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ TPH1 P17752 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ SRR Q9GZT4 1/20 0.36
▸ PSAT1 Q9Y617 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL7217449 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL18171815 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL7512929 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6602574 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL5960988 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6320356 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAHPGDL3MBTL1
SCHEMBL4829650 0.87 SLC6A2 (0.42) SMN1; SMN2KMT2APTPN1ACHEROCK2
SCHEMBL4832003 0.87 TPH1 (0.43) CYP19A1SMN1; SMN2PTPN1TPH1ACHE
SCHEMBL4823412 0.86 TP53 (0.48) TAAR1
SCHEMBL4829663 0.84 LMNA (0.48) TPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO 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 (1 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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO CYP19A1 71/4885ALDH1A1 711/4885SMN1; SMN2 2981/4885

“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.