Sugi Predict

Sugi Predict / Compounds / SCHEMBL3314113

SCHEMBL3314113

SCHEMBL3314113

Nc1c(Cl)cc(C=CC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR183 P32249 2/20 0.38
▸ ABCB1 P08183 2/20 0.37
▸ AR P10275 2/20 0.37
▸ HDAC1 Q13547 3/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL3314101 1.00 LMNA (0.38) LMNAKMT2AMEN1ALDH1A1GPR183
SCHEMBL3314106 1.00 LMNA (0.38) LMNAKMT2AMEN1ALDH1A1GPR183
SCHEMBL4003111 0.83 GPR183 (0.54) LMNAKMT2AMEN1ALDH1A1GPR183
SCHEMBL4003106 0.83 GPR183 (0.54) LMNAKMT2AMEN1ALDH1A1GPR183
SCHEMBL18482310 0.82 LMNA (0.44) LMNAKMT2AMEN1ALDH1A1GPR183
SCHEMBL31696304 0.81 NFKB1 (0.46) LMNAKMT2AMEN1GPR183ABCB1
SCHEMBL31696166 0.81 NFKB1 (0.46) LMNAKMT2AMEN1GPR183ABCB1
SCHEMBL28502321 0.81 NFKB1 (0.46) LMNAKMT2AMEN1GPR183ABCB1
SCHEMBL28502319 0.81 NFKB1 (0.46) LMNAKMT2AMEN1GPR183ABCB1
SCHEMBL27638285 0.81 ABCB1 (0.36) LMNAKMT2AMEN1ALDH1A1GPR183

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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 — — US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 — — US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 — — 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 890/4885KMT2A 4776/4885MEN1 883/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 890/4885KMT2A 4776/4885MEN1 883/4885

“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.