SCHEMBL2853837

SCHEMBL2853837

O=C(Nc1ccccc1)C(Cl)(Cl)c1nnnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 5/20 0.57
HPGD P15428 4/20 0.57
HTT P42858 3/20 0.57
CACNA1B Q00975 2/20 0.57
APBA1 Q02410 2/20 0.57
CCR6 P51684 1/20 0.57
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2845355 0.81 SMN1; SMN2 (0.49) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2846340 0.76 TYK2 (0.42) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL2006114 0.74 ALDH1A1 (1.00) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4407371 0.74 ALDH1A1 (0.79) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL9112952 0.71 SMN1; SMN2 (0.52) ALDH1A1HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL4408152 0.71 ALDH1A1 (0.74) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL13354144 0.69 MAPK13 (0.49) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10977161 0.69 ALDH1A1 (0.70) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL2850071 0.69 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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 9 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 claimed
EP-1978021-A1 Novel antibiotics Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-10-08 EP claimed
US-20100130509-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWE- TENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-05-27 US disclosed
US-20100130509-A1 NOVEL ANTIBIOTICS NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWE- TENSCHAPPELIJK ONDERZOEK TNO (NL) 2010-05-27 US disclosed
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
EP-1978021-A1 Novel antibiotics Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-10-08 EP disclosed
EP-1978021-A1 Novel antibiotics Nederlandse Organisatie voor toegepast- natuurwetenschappelijk onderzoek TNO (NL) 2008-10-08 EP 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 4431/4885MAPT 2857/4885HPGD 4498/4885

“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.