SCHEMBL6804230

SCHEMBL6804230

CC(=O)c1cc(Cl)sc1N(C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DYRK1A Q13627 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38

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
SCHEMBL7849567 0.77 ACKR3 (0.45) POLBNPC1RAB9AHPGDKMT2A
Hydrochloric Acid SCHEMBL6809616 0.76 ACKR3 (0.44) POLBNPC1RAB9AHPGDMAPT
SCHEMBL3051303 0.70 ALDH1A1 (0.43) NPC1RAB9ACA12CA9HPGD
SCHEMBL10852766 0.69 RAB9A (0.46) NPC1RAB9ACA12CA9KMT2A
SCHEMBL7818275 0.68 HDAC4 (0.45) POLBNPC1RAB9ACA12CA9
SCHEMBL10432121 0.68 TMEM97 (0.46) POLBNPC1RAB9ACA12CA9
SCHEMBL11156758 0.66 MEN1 (0.49) HSP90AA1NPC1RAB9AKMT2AMEN1
SCHEMBL27523316 0.66 MAOB (0.45) POLBHSP90AA1NPC1RAB9ACA12
SCHEMBL6800391 0.65 HPGD (0.43) NPC1RAB9AHPGDMAPTSMN1; SMN2
SCHEMBL28636581 0.65 RAB9A (0.50) POLBNPC1RAB9ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 EP 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 (2 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-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR POLB 4486/4885HSP90AA1 1456/4885NPC1 2985/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 POLB 4348/4885HSP90AA1 1397/4885NPC1 2571/4885

“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.