SCHEMBL5770583

SCHEMBL5770583

Cc1cccc2c(-c3nc(C(=O)N4CCN(C)CC4)c(-c4ccc(F)cc4)s3)n[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.42
HCRTR2 O43614 14/20 0.42
HRH4 Q9H3N8 4/20 0.41
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL5770792 0.92 HRH4 (0.42) HCRTR1HCRTR2HRH4HTR2C
SCHEMBL5771568 0.91 MAP4K4 (0.42) HCRTR1HCRTR2HRH4HTR2C
SCHEMBL5772442 0.91 HRH4 (0.43) HCRTR1HCRTR2HRH4HTR2CMEN1
SCHEMBL5771577 0.89 HRH4 (0.41) HRH4HTR2CKDM4E
SCHEMBL5768252 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL5795447 0.86 PIM1 (0.41) HRH4HTR2CALDH1A1
SCHEMBL5873005 0.85 KCNH2 (0.44) HCRTR1HCRTR2HRH4HTR2CKDM4E
SCHEMBL5872933 0.81 KDM4E (0.41) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL5873073 0.80 PIM1 (0.40) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL5774853 0.80 TRPM8 (0.43) HCRTR1HCRTR2KDM4EMEN1ALDH1A1

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
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885HRH4 4233/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B HCRTR1 4881/4885HCRTR2 4876/4885HRH4 4233/4885

“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.