SCHEMBL832575

SCHEMBL832575

c1cnc2nc3ncccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
HSP90AA1 P07900 2/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GMNN O75496 1/20 0.48
MMP2 P08253 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
CCR1 P32246 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL29384237 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL20272946 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL26628035 0.85 CCR1 (0.52) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL28910441 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL162529 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL13156531 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL210036 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EHTTLMNATP53
Anthracene SCHEMBL29196697 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL27946162 0.80 CCR1 (0.46) ALDH1A1KDM4EHTTLMNATP53
SCHEMBL13156534 0.80 NPC1 (0.48) ALDH1A1KDM4EHTTLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118785732-B Perovskite solar cell and preparation method thereof 正泰新能科技股份有限公司 2024-12-20 CN disclosed
CN-118785732-A Perovskite solar cell and preparation method thereof 正泰新能科技股份有限公司 2024-10-15 CN disclosed
WO-2024115460-A1 BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-06-06 WO disclosed
WO-2024068860-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-04-04 WO disclosed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
US-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST KYOTO UNIVERSITY (JP) 2023-11-23 US disclosed
WO-2023210833-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-11-02 WO disclosed
WO-2023208837-A1 OLIGOMERIC BINAPHTHYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2023-11-02 WO disclosed
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2014-02-20 US disclosed
US-8143254-B2 Methods for modulating ion channels CORNELL RESEARCH FOUNDATION, INC. (US) 2012-03-27 US disclosed
US-20090087789-A1 RESIST COMPOSITION AND PATTERN-FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2042925-A2 Resist composition and pattern-forming method using the same FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-20090005386-A1 Methods for Modulating Ion Channels PACE UNIVERSITY 2009-01-01 US disclosed
US-20080139815-A1 DRUG CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-06-12 US disclosed
US-7282590-B2 Selectively target tumor cells with highly potent cytotoxic drugs at a drug release rate that is effective for the destruction and/or inhibition of tumor cells THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-10-16 US disclosed
EP-1718335-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-11-08 EP disclosed
US-20060222869-A1 Electropen lithography ENERGY, UNITED STATES DEPARTMENT 2006-10-05 US disclosed
WO-2006089168-A2 METHODS FOR MODULATING ION CHANNELS CORNELL RESEARCH FOUNDATION, INC. (US) 2006-08-24 WO disclosed
US-20050232928-A1 Drug conjugates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-10-20 US disclosed
WO-2005079398-A2 DRUG CONJUGATES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-09-01 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 (5 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-20230372309-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST ADRA2A, ADRB2, ADRA2B ALDH1A1 407/4885KDM4E 4114/4885HTT 3746/4885
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF NSUN3, NSUN2, HNRNPF ALDH1A1 1547/4885KDM4E 4337/4885HTT 214/4885
US-20050232928-A1 Drug conjugates RXRB, NR0B1, RXRA ALDH1A1 399/4885KDM4E 1161/4885HTT 2445/4885
US-20090005386-A1 Methods for Modulating Ion Channels KCNJ5, KCNN4, TRPV1 ALDH1A1 1871/4885KDM4E 743/4885HTT 1024/4885
US-20080139815-A1 DRUG CONJUGATES RXRB, NR0B1, RXRA ALDH1A1 414/4885KDM4E 1166/4885HTT 2440/4885

“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.