SCHEMBL5400526

SCHEMBL5400526

ClC1c2ccccc2COc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HRH1 P35367 2/20 0.44
MAOA P21397 6/20 0.39
MAOB P27338 5/20 0.39
TERT O14746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
OXTR P30559 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL11277012 0.84 HTR2B (0.40) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL11272147 0.82 MAOB (0.43) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL9530007 0.81 NR3C2 (0.44) MAOBDRD2DRD3
SCHEMBL9528836 0.81 TERT (0.42) HTR2AHTR2CHRH1MAOBTERT
SCHEMBL10881346 0.81 KMT2A (0.39) HTR2AHTR2CHRH1KMT2ANPC1
SCHEMBL10559305 0.81 DRD2 (0.42) HTR2AHTR2CHRH1MAOBDRD2
SCHEMBL4465669 0.79 MAOA (0.59) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL10238629 0.78 HTR2A (0.47) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL20829248 0.78 HTR2A (0.43) HTR2AHTR2CHRH1MAOAMAOB
SCHEMBL1367244 0.78 HTR2A (0.57) HTR2AHTR2CHRH1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017044575-A1 CONSTRAINED BENZHYDRYL SULFONAMIDES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-03-16 WO disclosed
US-7276524-B2 Pyridyl alkane acid amides as cytostatics and immunosuppressives ASTELLAS DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives KLINGE PHARMA GMBH 2004-09-09 US disclosed
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH 2004-02-12 US disclosed
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives KLINGE PHARMA GMBH 2003-08-28 US disclosed
EP-0912176-B1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-25 EP disclosed
US-6451816-B1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression KLINGE PHARMA GMBH (DE) 2002-09-17 US disclosed
EP-0934309-B1 NEW PYRIDYL ALKANE ACID AMIDES AS CYTOSTATICS AND IMMUNOSUPPRESSIVES FUJISAWA DEUTSCHLAND GMBH (DE) 2002-09-11 EP disclosed
US-6444823-B1 ANTITUMOR AGENTS; IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION KLINGE PHARMA GMBH (DE) 2002-09-03 US disclosed
EP-0912176-A1 USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION Klinge Pharma GmbH (DE) 1999-05-06 EP disclosed
EP-0085870-B1 DIBENZ(B,E)OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1986-06-11 EP disclosed
US-4335122-A DIURETICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-15 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 (3 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-20040176605-A1 New pyridyl alkane acid amides as cytostatics and immunosuppressives ALK, ANXA1, ANXA11 HTR2A 3320/4885HTR2C 4101/4885HRH1 122/4885
US-20040029861-A1 Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression ALK, IDO1, PDXK HTR2A 1986/4885HTR2C 2910/4885HRH1 80/4885
US-20030162972-A1 Pyridyl alkane acid amides as cytostatics and immunosupressives ALK, TYMP, ANXA1 HTR2A 2822/4885HTR2C 4108/4885HRH1 121/4885

“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.