SCHEMBL971067

SCHEMBL971067

O=C(c1[c]cccc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FKBP1A P62942 1/20 0.46
PHGDH O43175 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1921739 0.88 L3MBTL1 (0.43) HPGDTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL969710 0.84 HPGD (0.52) HPGDTSHRGAAALDH1A1MEN1
SCHEMBL1115239 0.84 HPGD (0.47) HPGDTSHRSMN1; SMN2GAAALDH1A1
SCHEMBL1642860 0.83 HPGD (0.55) HPGDTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL4538878 0.80 KMT2A (0.41) HPGDTSHRTP53ALDH1A1MEN1
SCHEMBL1566654 0.80 SIGMAR1 (0.57) HPGDKMT2APOLB
SCHEMBL2186819 0.80 POLB (0.51) HPGDTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL6347565 0.80 HPGD (0.46) HPGDSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2579555 0.79 LMNA (0.41) HPGDPOLB
SCHEMBL1258723 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023108090-A2 PLATFORM USING DNA-ENCODED SMALL MOLECULE LIBRARIES AND RNA SELECTION TO DESIGN SMALL MOLECULES THAT TARGET RNA UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-15 WO claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP claimed
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO claimed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US claimed
US-8283344-B2 Method of treating inherited severe neutropenia MERCK & CO., INC. (US) 2012-10-09 US claimed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP claimed
EP-0595557-B1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO INC (US) 2004-06-30 EP claimed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
US-5591737-A ELASTASE INHIBITORS MERCK & CO., INC. (US) 1997-01-07 US claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
WO-1994010142-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO claimed
EP-0595557-A1 New substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1994-05-04 EP claimed
WO-1992000972-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-01-23 WO claimed

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-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK HPGD 3678/4885TSHR 2638/4885TP53 890/4885
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B HPGD 1382/4885TSHR 4360/4885TP53 1050/4885
US-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 HPGD 2360/4885TSHR 916/4885TP53 3947/4885

“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.