SCHEMBL29469169

SCHEMBL29469169

CC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CYP2C19 P33261 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ NAPRT Q6XQN6 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL521100 1.00 ALDH1A1 (0.59) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL28115430 0.89 ALDH1A1 (0.49) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL9945927 0.88 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL56441 0.83 GAA (0.50) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL3149525 0.83 RAB9A (0.45) ALDH1A1HPGDCYP2C19POLBSMN1; SMN2
SCHEMBL2549708 0.82 ALDH1A1 (0.53) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL3792891 0.82 ALDH1A1 (0.48) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL6689158 0.82 ALDH1A1 (0.74) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL3585917 0.81 ALDH1A1 (0.47) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL1533800 0.81 NPC1 (0.48) ALDH1A1HPGDPOLBSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 — — US disclosed
CN-118401108-A Lactones for enhancing the activity of antimicrobial agents 巴斯夫欧洲公司 2024-07-26 — — CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-4045625-A1 STORAGE-STABLE HYDROLASE CONTAINING LIQUIDS BASF SE (DE) 2022-08-24 — — EP disclosed
EP-4034650-A1 MANNANASE FOR FORMULATIONS HAVING PH 5-12 BASF SE (DE) 2022-08-03 — — EP disclosed
EP-4034651-A1 MANNANASE FOR FORMULATIONS HAVING PH 5-12 BASF SE (DE) 2022-08-03 — — EP disclosed
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-09 — — US disclosed
US-11285156-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2022-03-29 — — 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 (3 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-11285156-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885HPGD 1474/4885CYP2C19 3954/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS ALDH1A1 3126/4885HPGD 1474/4885CYP2C19 3954/4885
US-20220175782-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4307/4885HPGD 2379/4885CYP2C19 4667/4885

“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.

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