Sugi Predict

Sugi Predict / Compounds / SCHEMBL165552

SCHEMBL165552

SCHEMBL165552

Cc1cc(C(F)(F)F)ccc1OCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.57
▸ KDM4E B2RXH2 6/20 0.47
▸ MRGPRX4 Q96LA9 3/20 0.47
▸ PPARD Q03181 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR4 Q5NUL3 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL28350759 0.98 ESR1 (0.56) ESR1KDM4EMRGPRX4PPARDPPARG
SCHEMBL14037 0.92 ESR1 (0.49) ESR1KDM4EMRGPRX4PPARDPPARG
SCHEMBL22809640 0.87 ESR1 (0.55) ESR1KDM4EMRGPRX4ALDH1A1FFAR4
SCHEMBL22809522 0.87 ESR1 (0.55) ESR1KDM4EALDH1A1RECQL
SCHEMBL14471138 0.84 PPARG (0.51) ESR1KDM4EMRGPRX4PPARDPPARG
SCHEMBL10086800 0.84 KDM4E (0.66) ESR1KDM4EMRGPRX4LMNAMAPT
SCHEMBL22809489 0.84 IDO1 (0.47) ESR1KDM4EMRGPRX4LMNAMAPT
SCHEMBL22809506 0.83 HTR2A (0.44) ESR1KDM4EL3MBTL1HTTKMT2A
SCHEMBL14453572 0.83 KDM4E (0.58) KDM4EMRGPRX4PPARDPPARGPPARA
SCHEMBL3451748 0.83 RXRA (0.50) ESR1KDM4EMRGPRX4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 — — US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 — — EP disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 — — US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 — — US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 — — US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 — — US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 — — EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 — — US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 — — US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 — — 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 (7 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 ESR1 1041/4885KDM4E 1022/4885MRGPRX4 1182/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS ESR1 4613/4885KDM4E 2459/4885MRGPRX4 3071/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 ESR1 4373/4885KDM4E 480/4885MRGPRX4 3670/4885
US-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A ESR1 4567/4885KDM4E 1418/4885MRGPRX4 1780/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 ESR1 2942/4885KDM4E 1691/4885MRGPRX4 1786/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 ESR1 4373/4885KDM4E 480/4885MRGPRX4 3670/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 ESR1 4389/4885KDM4E 1349/4885MRGPRX4 1836/4885

“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.