SCHEMBL1336385

SCHEMBL1336385

FN(F)c1ccc(Br)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
PYCR1 P32322 1/20 0.35
NT5E P21589 1/20 0.34
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2A6 P11509 1/20 0.30
NMT1 P30419 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL6726449 0.77 ALDH1A1 (0.44) ALDH1A1PYCR1KMT2AMEN1TSHR
SCHEMBL979334 0.74 DGAT1 (0.41) ALDH1A1PYCR1KMT2ALMNACYP2A6
SCHEMBL31261561 0.72 ALDH1A1 (0.41) ALDH1A1PYCR1HSD11B1KMT2AMEN1
SCHEMBL21177435 0.72 CCR5 (0.49) ALDH1A1PYCR1KMT2AMEN1TSHR
SCHEMBL415375 0.72 ALDH1A1 (0.38) ALDH1A1PYCR1NT5EHSD11B1KMT2A
SCHEMBL21585255 0.70 HRH4 (0.43) NT5E
SCHEMBL29405402 0.69
SCHEMBL125688 0.69
SCHEMBL23853796 0.69 ALDH1A1 (0.38) ALDH1A1NT5EHSD11B1KMT2AMEN1
SCHEMBL14758469 0.69 LMNA (0.40) ALDH1A1PYCR1KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248506-A Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith 西格诺药品有限公司 2021-08-13 CN disclosed
EP-2566847-B1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS ICOZEN THERAPEUTICS PVT LTD (IN) 2018-11-07 EP disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 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 (2 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885PYCR1 499/4885NT5E 1634/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR ALDH1A1 109/4885PYCR1 499/4885NT5E 1634/4885

“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.