SCHEMBL914790

SCHEMBL914790

O=Cc1cc(Cl)ccc1OCn1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SLC9A1 P19634 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ MGAM O43451 1/20 0.45
▸ AMY1A P0DUB6 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SI P14410 1/20 0.45
▸ MGAM2 Q2M2H8 1/20 0.45
▸ GRM2 Q14416 4/20 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
SCHEMBL6962405 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL915304 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL28762198 0.73 SLC9A1 (0.54) NPC1RAB9AMAPTSLC9A1TDP1
SCHEMBL6040822 0.72 MAPT (0.42) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL14220724 0.69 POLB (0.59) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL3463660 0.69 SLC9A1 (0.57) NPC1RAB9AMAPTSLC9A1TDP1
SCHEMBL15871991 0.69 POLB (0.77) NPC1RAB9ASMN1; SMN2MAPTSLC9A1
SCHEMBL1119150 0.68 JAK2 (0.57) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL9074689 0.67 MEN1 (0.54) SMN1; SMN2KMT2AALDH1A1HPGDMEN1
SCHEMBL1185190 0.67 HPGD (0.64) SMN1; SMN2MAPTTDP1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 — — CN disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 — — CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1206/4885RAB9A 389/4885SMN1; SMN2 4303/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 NPC1 1171/4885RAB9A 389/4885SMN1; SMN2 4263/4885

“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.

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