Sugi Predict

Sugi Predict / Compounds / SCHEMBL914948

SCHEMBL914948

SCHEMBL914948

O=C(NC1CCN(C[C@@H]2CCCN3CCCC[C@H]23)CC1)c1cc2c(OCc3ccoc3)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ NUDT1 P36639 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ SGMS2 Q8NHU3 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 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
SCHEMBL4411388 0.89 CHRM2 (0.34) KMT2ASRD5A2ALDH1A1MEN1CHRM2
SCHEMBL914012 0.86 SRD5A2 (0.43) KMT2ASRD5A2MEN1CHRM2CHRM1
SCHEMBL13593469 0.85 MAOB (0.37) KMT2ASRD5A2ALDH1A1RHEB
SCHEMBL6962655 0.85 MAOB (0.37) KMT2ASRD5A2ALDH1A1RHEB
SCHEMBL914813 0.85 ALDH1A1 (0.41) KMT2AALDH1A1RHEBNUDT1SYK
Hydrochloric Acid SCHEMBL914376 0.84 MAOB (0.36) KMT2ASRD5A2ALDH1A1MEN1RHEB
SCHEMBL6963676 0.84 KMT2A (0.41) KMT2AALDH1A1MEN1RHEBMAPT
SCHEMBL915514 0.83 MLLT1 (0.37) KMT2AALDH1A1
SCHEMBL13593294 0.83 KMT2A (0.41) KMT2ASRD5A2ALDH1A1MAPTNPC1
SCHEMBL6959492 0.83 ALDH1A1 (0.37) KMT2ASRD5A2ALDH1A1MEN1RHEB

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-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US 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
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
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — 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 (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 KMT2A 4109/4885SRD5A2 849/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885SRD5A2 869/4885ALDH1A1 1732/4885

“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.