Sugi Predict

Sugi Predict / Compounds / SCHEMBL449135

SCHEMBL449135

SCHEMBL449135

CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.60
▸ TMPRSS4 Q9NRS4 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NOTUM Q6P988 1/20 0.53
▸ P2RX4 Q99571 2/20 0.50
▸ P2RX7 Q99572 2/20 0.50
▸ GPR35 Q9HC97 1/20 0.50
▸ NR2E1 Q9Y466 1/20 0.50
▸ TAS2R14 Q9NYV8 1/20 0.50
▸ KDR P35968 3/20 0.49
▸ KIF11 P52732 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ P2RX1 P51575 1/20 0.45

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
SCHEMBL7128892 0.91 ACP1 (0.52) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL5773763 0.87 MAPT (0.67) ACP1TMPRSS4MAPTP2RX4P2RX7
SCHEMBL11786916 0.84 ACP1 (0.61) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL1925848 0.84 ACP1 (0.61) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL12513693 0.83 MAPT (0.78) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL5448110 0.83 ACP1 (0.60) ACP1TMPRSS4MAPTNOTUMP2RX4
Fluoride SCHEMBL11786925 0.83 ACP1 (0.60) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL20568673 0.82 ACP1 (0.68) ACP1TMPRSS4MAPTNOTUMP2RX4
SCHEMBL22864579 0.81 LMNA (0.58) ACP1MAPTLMNA
SCHEMBL23328069 0.81 MAPT (0.59) ACP1TMPRSS4MAPTP2RX4P2RX7

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
US-9603833-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2017-03-28 — — US disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP disclosed
EP-2886534-A1 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-Tech Ueno, Ltd. (JP) 2015-06-24 — — EP disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
US-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R TECH UENO LTD (JP) 2015-06-18 — — US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
US-8999989-B2 Benzene or thiophene derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2015-04-07 — — US disclosed
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 — — US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 — — US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 — — US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 — — US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US disclosed
US-6518257-B1 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-11 — — US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 — — US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 — — WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO disclosed
EP-1227086-A1 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-07-31 — — EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 — — 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 (6 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-20150166525-A1 BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, VAPA, BET1 ACP1 2185/4885TMPRSS4 1716/4885MAPT 1522/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ACP1 2769/4885TMPRSS4 3685/4885MAPT 4734/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACP1 2608/4885TMPRSS4 2136/4885MAPT 4084/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACP1 1872/4885TMPRSS4 3396/4885MAPT 2262/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACP1 2608/4885TMPRSS4 2136/4885MAPT 4084/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACP1 1872/4885TMPRSS4 3396/4885MAPT 2262/4885

“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.