SCHEMBL7367950

SCHEMBL7367950

O=S(=O)(ON1CCc2ccccc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
CDK4 P11802 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
SCHEMBL27754978 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL6769554 0.79 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4983966 0.73 NOTUM (0.47) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL16353530 0.73 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1461151 0.72 KMT2A (0.56) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4685687 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL9132803 0.72 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3899031 0.69 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL14156263 0.69 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1408706 0.69 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912554-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-11-27 EP disclosed
US-6369060-B1 CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY; 5-METHYL-6-TRIFLUOROMETHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY)-PYRIDIN-3-YL CARBAMOYL)INDOLINE AND 5-METHYL-1-(6-(2-METHYLPYRIDIN-3-YLOXY) -PYRIDAZIN-3-YLCARBAMOYL)-6-TRIFLUOROMETHYLINDOLINE SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-09 US disclosed
US-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM P.L.C. 2002-03-21 US disclosed
US-6313145-B1 FOR THERAPY OF ANXIETY AND/OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-06 US disclosed
EP-0912556-B1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-10-04 EP disclosed
EP-0984956-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-03-15 EP disclosed
CN-1230894-A Containing 5HT2cAntagonists and D2Pharmaceutical compositions of antagonists SMITHKLINE BEECHAM PLC (GB) 1999-10-06 CN disclosed
CN-1229408-A Dihydroindole derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-22 CN disclosed
EP-0936924-A2 PHARMACEUTICAL COMPOSITION CONTAINING A 5HT 2C? ANTAGONIST AND A D 2? ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1999-08-25 EP disclosed
EP-0912554-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
EP-0912556-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1998052943-A1 INDOLINE DERIVATIVES AS 5HT2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-11-26 WO disclosed
WO-1998004289-A2 PHARMACEUTICAL COMPOSITION CONTAINING A 5HT2C ANTAGONIST AND A D2 ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1998-02-05 WO disclosed
WO-1997048699-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
WO-1997048700-A1 INDOLINE DERIVATIVES USEFUL AS 5-HT-2C RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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 (1 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-20020035134-A1 Indoline derivatives useful as 5-HT-2C receptor antagonists HTR2C, HTR1A, HTR1D MEN1 955/4885KMT2A 1090/4885ALDH1A1 703/4885

“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.