SCHEMBL320171

SCHEMBL320171

O=Cc1c(Cl)cccc1OC(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
DRD1 P21728 3/20 0.45
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
HTR1E P28566 1/20 0.35
S1PR3 Q99500 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL23760662 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL16793363 0.80 DRD1 (0.46) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL16797104 0.79 DRD1 (0.45) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL19899910 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL21456668 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL19900026 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL16974798 0.77 DRD1 (0.37) ALDH1A1KMT2AMEN1TDP1DRD1
SCHEMBL15330612 0.76 KMT2A (0.51) ALDH1A1KMT2AMEN1TDP1CYP1A2
SCHEMBL459037 0.76 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL4115873 0.75 DRD1 (0.45) ALDH1A1KMT2AMEN1TDP1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
CN-109195968-B Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-11 CN disclosed
CN-109219609-B Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-01 CN disclosed
EP-3436456-B1 FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-11-17 EP disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
EP-2473490-B1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LTD (BS) 2014-02-26 EP disclosed
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-01 US disclosed
EP-2590955-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
EP-2473490-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS Abbott Healthcare Products B.V. (NL) 2012-07-11 EP disclosed
WO-2012004378-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 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 (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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 ALDH1A1 2196/4885KMT2A 2510/4885MEN1 1540/4885
US-20130196998-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3430/4885KMT2A 2574/4885MEN1 303/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 ALDH1A1 968/4885KMT2A 2360/4885MEN1 2098/4885
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3506/4885KMT2A 2005/4885MEN1 369/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 ALDH1A1 3626/4885KMT2A 2072/4885MEN1 380/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 ALDH1A1 968/4885KMT2A 2360/4885MEN1 2098/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A ALDH1A1 367/4885KMT2A 2464/4885MEN1 1924/4885

“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.