SCHEMBL13153237

SCHEMBL13153237

CC(C)(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
ALDH1A1 P00352 9/20 0.65
HTT P42858 2/20 0.65
TP53 P04637 1/20 0.65
LMNA P02545 3/20 0.64
POLB P06746 3/20 0.64
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
AKR1C3 P42330 1/20 0.58
ENPP2 Q13822 1/20 0.57

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
SCHEMBL1387486 0.85 MAPT (0.74) MAPTALDH1A1HTTTP53LMNA
SCHEMBL13181103 0.82 MAPT (0.70) MAPTALDH1A1HTTTP53LMNA
SCHEMBL3097362 0.82 MAPT (0.70) MAPTALDH1A1HTTTP53LMNA
SCHEMBL942925 0.82 MAPT (0.69) MAPTALDH1A1HTTTP53LMNA
SCHEMBL8932385 0.82 MAPT (0.69) MAPTALDH1A1HTTTP53LMNA
SCHEMBL13153240 0.80 GFER (0.62) MAPTALDH1A1HTTLMNAPOLB
SCHEMBL29057437 0.80 MAPT (0.68) MAPTALDH1A1HTTTP53LMNA
SCHEMBL2074819 0.80 MAPT (0.68) MAPTALDH1A1HTTTP53LMNA
SCHEMBL13945692 0.80 ME2 (0.64) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL27783156 0.79 AKR1C3 (0.85) MAPTALDH1A1HTTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215823-B FXR modulator, preparation method, pharmaceutical composition and application thereof 北京百思致道管理顾问中心(有限合伙) 2024-07-26 CN disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
CN-115215823-A FXR (FXR) regulator and preparation method, pharmaceutical composition and application thereof 青岛睿吉医疗技术有限公司 2022-10-21 CN disclosed
WO-2022218440-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 青岛睿吉医疗技术有限公司 2022-10-20 WO disclosed
WO-2022218440-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 青岛睿吉医疗技术有限公司 2022-10-20 WO disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 MAPT 464/4885ALDH1A1 3216/4885HTT 2918/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MAPT 2813/4885ALDH1A1 617/4885HTT 2793/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 MAPT 4456/4885ALDH1A1 2036/4885HTT 4790/4885

“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.