SCHEMBL24677819

SCHEMBL24677819

CCNC(CCCCNC)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ TLR2 O60603 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MME P08473 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ FOLH1 Q04609 5/20 0.39
▸ NAAA Q02083 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24220982 0.90 FOLH1 (0.44) TLR2NPSR1MMETSHRFOLH1
SCHEMBL21081697 0.89 MME (0.43) TLR2NPSR1MMETSHRFOLH1
SCHEMBL23052535 0.89 MME (0.43) TLR2NPSR1MMETSHRFOLH1
SCHEMBL21081698 0.88 HTR2A (0.47) HTR2AHRH1NPSR1MMETSHR
SCHEMBL21081675 0.88 HTR2A (0.47) HTR2AHRH1NPSR1MMETSHR
SCHEMBL24677893 0.88 NPSR1 (0.45) TLR2NPSR1MMEFOLH1NAAA
SCHEMBL21736741 0.86 HTR2A (0.45) HTR2AHRH1TLR2NPSR1MME
SCHEMBL21787357 0.85 HTR2A (0.44) HTR2AHRH1NPSR1MMETSHR
SCHEMBL24677821 0.84 HTR2A (0.41) HTR2AHRH1NPSR1MMETSHR
SCHEMBL21081699 0.84 HTR2A (0.41) HTR2AHRH1NPSR1MMETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220273807-A1 CONJUGATES FOR USE IN METHODS OF TREATING CANCER ASTRAZENECA AB (SE) 2022-09-01 — — US 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 (1 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-20220273807-A1 CONJUGATES FOR USE IN METHODS OF TREATING CANCER CD44, FOLH1, SLC17A5 HTR2A 4024/4885HRH1 3040/4885TLR2 1643/4885

“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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