SCHEMBL5656649

SCHEMBL5656649

Cc1nccc2c([N+](=O)[O-])c(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ VCAM1 P19320 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CCNB2 O95067 1/20 0.35

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
SCHEMBL25376149 0.83 ALDH1A1 (0.53) PDE3BPDE3AALDH1A1MEN1KMT2A
SCHEMBL28048360 0.81 ALDH1A1 (0.41) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10783669 0.71 ALDH1A1 (0.71) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5655984 0.70 CCNB2 (0.39) PDE3BPDE3AALDH1A1MAPTMEN1
SCHEMBL619830 0.70 TDP1 (0.62) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL7513494 0.70 ALDH1A1 (0.48) VCAM1ALDH1A1MAPTTDP1LMNA
SCHEMBL3345352 0.70 MAPT (0.38) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29467143 0.70 MAPT (0.38) VCAM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL30197316 0.70 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL843559 0.70 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528774-B2 Thiosemicarbazone compounds and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-20 — — US disclosed
US-20220274929-A1 THIOSEMICARBAZONE COMPOUNDS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-09-01 — — US disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 — — US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 — — US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 — — EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 — — 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 (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-20220274929-A1 THIOSEMICARBAZONE COMPOUNDS AND USES THEREOF TST, TPMT, ABCG2 PDE3B 3001/4885PDE3A 2798/4885VCAM1 1886/4885
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 PDE3B 513/4885PDE3A 565/4885VCAM1 305/4885
US-12528774-B2 Thiosemicarbazone compounds and uses thereof SCN2B, SCN1B, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PDE3B 1715/4885PDE3A 1564/4885VCAM1 3064/4885

“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.

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