SCHEMBL4157469

SCHEMBL4157469

CS(=O)(=O)Nc1cc(Br)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.50
KDM1A O60341 2/20 0.48
MAOA P21397 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ACLY P53396 1/20 0.45
KMT2A Q03164 1/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
NMT1 P30419 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL30526897 0.85 KMT2A (0.56) SLC22A12ALDH1A1KMT2AALOX15TSHR
SCHEMBL2350815 0.85 KMT2A (0.56) SLC22A12ALDH1A1KMT2AALOX15TSHR
SCHEMBL14014069 0.79 KDM1A (0.49) KDM1AMAOAALDH1A1TSHR
SCHEMBL18332101 0.78 KDM1A (0.51) KDM1AMAOABRD4ADRA2CADRA1A
SCHEMBL857989 0.78 SLC22A12 (0.50) SLC22A12ALDH1A1ACLYKMT2APTGS1
SCHEMBL26386555 0.78 KDM1A (0.48) KDM1AMAOATSHRBRD4ADRA2C
SCHEMBL30111107 0.77 METAP2 (0.60) ALDH1A1KMT2ATSHR
SCHEMBL31500466 0.76 SLC22A12 (0.49) SLC22A12ALDH1A1PTGS1PTGS2
Ammonia Solution, Strong SCHEMBL2211253 0.76 KDM1A (0.50) KDM1AMAOABRD4ADRA2CADRA1A
Water SCHEMBL27780961 0.76 KDM1A (0.47) KDM1AMAOABRD4ADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 SLC22A12 730/4885KDM1A 2954/4885MAOA 2086/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 SLC22A12 754/4885KDM1A 2812/4885MAOA 2009/4885

“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.