SCHEMBL2851627

SCHEMBL2851627

Cc1ccccc1-n1nnnc1C(Cl)(Cl)C(=O)NC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD11B1 P28845 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 5/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.38
ABCB1 P08183 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX4 Q99571 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR6 P51684 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL2855140 0.83 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2843430 0.81 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2846340 0.81 TYK2 (0.42) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2846682 0.79 ALDH1A1 (0.46) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2851117 0.77 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2008495 0.76 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL13354146 0.75 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL2875512 0.74 ABCB1 (0.42) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL13354145 0.73 TYK2 (0.41) ALDH1A1TSHRL3MBTL1HSD11B1MAPT
SCHEMBL13354144 0.72 MAPK13 (0.49) ALDH1A1TSHRL3MBTL1HSD11B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130509-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWE- TENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-05-27 US disclosed
EP-2139872-A1 NOVEL ANTIBIOTICS Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2010-01-06 EP disclosed
WO-2008120992-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2008-10-09 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 (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-20100130509-A1 NOVEL ANTIBIOTICS TMEM165, LAS1L, RPS2 ALDH1A1 4431/4885TSHR 3686/4885L3MBTL1 300/4885

“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.