SCHEMBL854050

SCHEMBL854050

CN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
LMNA P02545 5/20 0.71
KMT2A Q03164 2/20 0.69
MAPT P10636 3/20 0.63
THRB P10828 1/20 0.63
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
WDR5 P61964 4/20 0.58
SIRT6 Q8N6T7 1/20 0.58
GAA P10253 1/20 0.57
POLB P06746 1/20 0.56
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL30198175 1.00 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL861991 0.94 ALDH1A1 (0.64) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL14464189 0.92 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AMAPTTHRB
Methylpiperazine SCHEMBL5742882 0.92 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL9300572 0.88 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL10036446 0.88 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL30306129 0.87 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL22471238 0.87 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL10128069 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTHRB
SCHEMBL4921368 0.86 ALDH1A1 (0.75) ALDH1A1LMNAKMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108009-A1 DYRK/CLK PROTACS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-05-23 WO disclosed
EP-3543242-B1 8,9-DIHYDROIMIDAZOLE[1,2-A]PYRIMIDO[5,4-E]PYRIMIDINE-5(6H)-KETONE COMPOUND IMPACT THERAPEUTICS SHANGHAI INC (CN) 2024-01-03 EP disclosed
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates AC IMMUNE SA (CH) 2023-08-17 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates AC IMMUNE SA (CH) 2023-06-27 US disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
EP-3590932-B1 JAK2 AND ALK2 INHIBITORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY INC (US) 2023-05-03 EP disclosed
EP-4153576-A1 NOTCH INHIBITORS AND USES THEREOF StemSynergy Therapeutics, Inc. (US) 2023-03-29 EP disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US disclosed
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles DING QINGJIE (US) 2004-04-29 US disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN 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-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
EP-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 EP 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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 ALDH1A1 1009/4885LMNA 2122/4885KMT2A 634/4885
US-20230255976-A1 Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates MAPT, MAP1LC3A, MAP1LC3B ALDH1A1 3543/4885LMNA 2338/4885KMT2A 2583/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ALDH1A1 370/4885LMNA 4524/4885KMT2A 3699/4885
US-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ALDH1A1 2288/4885LMNA 3567/4885KMT2A 1979/4885
US-11684625-B2 Compounds for the treatment, alleviation or prevention of disorders associated with tau aggregates MAPT, PSEN2, PSEN1 ALDH1A1 2468/4885LMNA 1851/4885KMT2A 3095/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 ALDH1A1 1009/4885LMNA 2122/4885KMT2A 634/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 ALDH1A1 858/4885LMNA 1526/4885KMT2A 751/4885

“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.