Sugi Predict

Sugi Predict / Compounds / SCHEMBL397664

SCHEMBL397664

SCHEMBL397664

CN(C)/C=C1\C(=O)Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ MAPT P10636 9/20 0.75
▸ ALDH1A1 P00352 7/20 0.75
▸ NPSR1 Q6W5P4 3/20 0.75
▸ ALOX15 P16050 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ APP P05067 4/20 0.60
▸ SNCA P37840 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ TDP1 Q9NUW8 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ PDGFRB P09619 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ PKM P14618 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ GMNN O75496 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MTOR P42345 1/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL11892099 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NPSR1ALOX15
SCHEMBL397665 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1NPSR1ALOX15
Ethanesulfonic Acid Amide SCHEMBL28411612 0.88 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1NPSR1ALOX15
SCHEMBL13145901 0.87 SMN1; SMN2 (0.77) SMN1; SMN2MAPTALDH1A1NPSR1ALOX15
SCHEMBL12364014 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPSR1APP
SCHEMBL2261891 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPSR1APP
SCHEMBL2261888 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPSR1APP
SCHEMBL4994419 0.81 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPSR1APP
SCHEMBL5894336 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1NPSR1ALOX15
SCHEMBL5873949 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1NPSR1PDGFRB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-8101604-B2 Alpha carbolines and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20110039714-A1 Probes, Systems, and Methods for Drug Discovery VTVX HOLDINGS I LLC 2011-02-17 — — US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-09 — — US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
US-7812018-B2 inhibitors of I kappa B kinase ( IKK-2) 2-amino-9-methyl-9H-pyrido[2,3-b]indole-3-carboxamide, useful for treating inflammatory diseases and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
WO-2007097981-A2 ALPHA CARBOLINES AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-30 — — WO disclosed
EP-1383799-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TransTech Pharma Inc. (US) 2004-01-28 — — EP disclosed
WO-2003084997-A1 PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY TRANSTECH PHARMA, INC. (US) 2003-10-16 — — WO disclosed
US-20030125315-A1 Probes, systems, and methods for drug discovery TRANSTECH PHARMA, INC. 2003-07-03 — — US disclosed
US-4977178-A Method of treating anxiety and depression with 1-phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1990-12-11 — — US disclosed
US-4879391-A 1-Phenyl-2(1H,3H)-indolone psychotherapeutic agents PFIZER INC. (US) 1989-11-07 — — US disclosed
US-4861880-A 1-phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1989-08-29 — — US disclosed
EP-0104860-B1 1-PHENYL-2(1H,3H)-INDOLONE PSYCHO-THERAPEUTIC AGENTS PFIZER INC. (US) 1987-03-18 — — EP disclosed
US-4476307-A Heteroylidene indolone compounds PFIZER INC. (US) 1984-10-09 — — US disclosed
EP-0104860-A1 1-Phenyl-2(1H,3H)-indolone psycho-therapeutic agents PFIZER INC. (US) 1984-04-04 — — 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-20030125315-A1 Probes, systems, and methods for drug discovery ABCG2, EZR, PAICS SMN1; SMN2 2952/4885MAPT 2962/4885ALDH1A1 458/4885
US-20100311715-A1 ALPHA CARBOLINES AND USES THEREOF CHRM1, CNR1, CXCR1 SMN1; SMN2 2427/4885MAPT 3493/4885ALDH1A1 416/4885

“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.