SCHEMBL25753206

SCHEMBL25753206

O=C(c1ccccc1Cl)c1cnc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
RORB Q92753 4/20 0.48
KMT2A Q03164 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
RORC P51449 2/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
POLB P06746 2/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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
SCHEMBL31565655 1.00 RECQL (0.50) RECQLRORBKMT2ACES2CES1
SCHEMBL28662886 0.87 NNMT (0.42) RECQLRORBKMT2ARORCLMNA
SCHEMBL29399311 0.79 CES2 (0.71) RECQLRORBKMT2ACES2CES1
SCHEMBL50416 0.79 CES2 (0.71) RECQLRORBKMT2ACES2CES1
SCHEMBL3444846 0.77 CES2 (0.68) RECQLRORBKMT2ACES2CES1
SCHEMBL25753143 0.76 ALDH1A1 (0.48) RECQLRORBKMT2ACES2CES1
SCHEMBL16333365 0.75 NNMT (0.42) KMT2AALDH1A1
SCHEMBL29577063 0.75 NNMT (0.42) KMT2AALDH1A1
SCHEMBL4357599 0.75 RECQL (0.41) RECQLRORBKMT2ACES2CES1
SCHEMBL5080596 0.74 RECQL (0.71) RECQLRORBKMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 US disclosed
US-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2023-07-06 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-20230212167-A1 METHOD FOR SYNTHESIZING ANTI-TUMOR COMPOUND AND INTERMEDIATES THEREOF SQLE, HCCS, DHPS RECQL 1546/4885RORB 1487/4885KMT2A 4045/4885

“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.