Sugi Predict

Sugi Predict / Compounds / SCHEMBL3840667

SCHEMBL3840667

SCHEMBL3840667

NCCc1ccc(N2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ CHKA P35790 5/20 0.51
▸ L3MBTL3 Q96JM7 5/20 0.46

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
Hydrochloric Acid SCHEMBL25322183 0.98 L3MBTL1 (0.59) L3MBTL1KDM4EMEN1NPC1USP2
SCHEMBL12496493 0.98 L3MBTL1 (0.59) L3MBTL1KDM4EMEN1NPC1USP2
Hydrochloric Acid SCHEMBL21382108 0.96 L3MBTL1 (0.62) L3MBTL1KDM4EMEN1NPC1USP2
SCHEMBL9915870 0.85 CHKA (0.65) L3MBTL1KDM4EMEN1NPC1USP2
SCHEMBL2187269 0.84 SLC13A5 (0.49) L3MBTL1KDM4EMEN1NPC1USP2
SCHEMBL112580 0.83 ALDH1A1 (0.54) L3MBTL1KDM4EMEN1NPC1USP2
Hydrochloric Acid SCHEMBL21382220 0.82 SLC13A5 (0.48) L3MBTL1KDM4EMEN1NPC1USP2
SCHEMBL5987861 0.82 TAAR1 (0.67) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL23120572 0.82 ADRB1 (0.53) KDM4EUSP2ALDH1A1HSD17B10
SCHEMBL3973504 0.82 MAPT (0.63) L3MBTL1KDM4EALDH1A1GAAMAPT

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-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 — — US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 — — EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 — — US disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 — — US disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 — — EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 — — 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 (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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C L3MBTL1 4299/4885KDM4E 3889/4885MEN1 3455/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C L3MBTL1 4299/4885KDM4E 3889/4885MEN1 3455/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 L3MBTL1 4077/4885KDM4E 4160/4885MEN1 1714/4885

“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.