SCHEMBL854196

SCHEMBL854196

Nc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.71
CASP6 P55212 1/20 0.71
ALDH1A1 P00352 10/20 0.56
MAPT P10636 9/20 0.56
LMNA P02545 9/20 0.56
GAA P10253 6/20 0.56
ALOX12 P18054 4/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRA2C P18825 1/20 0.55
PTK2B Q14289 1/20 0.55
ESR2 Q92731 1/20 0.55
MEN1 O00255 2/20 0.52
USP2 O75604 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL2362329 0.93 GFER (0.63) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL28806386 0.86 GFER (0.73) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL5725441 0.85 GFER (0.71) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL21855140 0.84 USP2 (0.56) GFERCASP6ALDH1A1ALOX12CYP2C9
SCHEMBL3486877 0.84 GFER (0.53) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL3570969 0.84 GFER (0.53) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL5183437 0.84 NPC1 (0.62) ALDH1A1MAPTLMNACYP2C9CYP2C19
SCHEMBL6152043 0.83 GFER (1.00) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL188503 0.83 GFER (1.00) GFERCASP6ALDH1A1MAPTLMNA
SCHEMBL6152986 0.83 GFER (1.00) GFERCASP6ALDH1A1MAPTLMNA

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023169391-A1 HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-14 WO disclosed
US-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-17 US disclosed
US-20230194515-A1 BROAD SPECTRUM KINASE BINDING AGENTS PROMEGA CORPORATION 2023-06-22 US disclosed
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR (CN) 2023-05-25 US disclosed
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
EP-3952863-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) Dana-Farber Cancer Institute, Inc. (US) 2022-02-16 EP disclosed
WO-2021254389-A1 PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2021-12-23 WO disclosed
EP-3826724-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
EP-3261637-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2021-05-26 EP disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030186973-A1 2-Thia-1,6,8-Triaza-Naphthalene-2,2-Dioxides are kinase inhibitors REPINE JOSEPH THOMAS (US) 2003-10-02 US disclosed
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
WO-2003062246-A1 2-THIA-1,6,8-TRIAZA-NAPHTALENE-2,2-DIOXIDES AS CDK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
EP-1265891-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-12-18 EP disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 WO disclosed
WO-2001068643-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-09-20 WO disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 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 (7 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-20220175722-A1 DEGRADERS OF FIBROBLAST GROWTH FACTOR RECEPTOR 2 (FGFR2) FGFR2, FGF2, FGFR1 GFER 737/4885CASP6 3371/4885ALDH1A1 2103/4885
US-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF TIE1, TEK, KDR GFER 4019/4885CASP6 1521/4885ALDH1A1 2673/4885
US-20230159540-A1 PYRAZOLO[3,4-d]PYRIMIDIN-3-ONE DERIVATIVE AS WEE-1 INHIBITOR WEE1, WEE2, PEAK1 GFER 4642/4885CASP6 4028/4885ALDH1A1 905/4885
US-20030186973-A1 2-Thia-1,6,8-Triaza-Naphthalene-2,2-Dioxides are kinase inhibitors CCNA1, CDK2, CCNI GFER 2961/4885CASP6 2964/4885ALDH1A1 1281/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 GFER 4289/4885CASP6 1534/4885ALDH1A1 1009/4885
US-20230194515-A1 BROAD SPECTRUM KINASE BINDING AGENTS MAP4K2, MAP3K20, MAP4K1 GFER 4770/4885CASP6 3911/4885ALDH1A1 4454/4885
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 GFER 4522/4885CASP6 3680/4885ALDH1A1 2182/4885

“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.