Sugi Predict

Sugi Predict / Compounds / SCHEMBL659340

SCHEMBL659340

SCHEMBL659340

COc1cccc2c1C(=NO)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD2 P14416 4/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ DRD4 P21917 2/20 0.39
▸ POLL Q9UGP5 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL659339 1.00 LMNA (0.45) LMNAHSD17B10CYP19A1CYP11B1CYP11B2
SCHEMBL20205934 0.83 DRD2 (0.44) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL30040953 0.76 ALDH1A1 (0.50) LMNAHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL23649698 0.76 ALDH1A1 (0.50) LMNAHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL23649700 0.76 ALDH1A1 (0.50) LMNAHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL355639 0.75 KDM4E (0.55) LMNAHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL355638 0.75 KDM4E (0.55) LMNAHSD17B10MAPTRAB9ASMN1; SMN2
SCHEMBL1922629 0.75 NR3C1 (0.44) LMNAHSD17B10MAPTALDH1A1KDM4E
SCHEMBL4114766 0.75 PTGS2 (0.39) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1922630 0.75 NR3C1 (0.44) LMNAHSD17B10MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 — — US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 — — US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 — — US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 — — US disclosed
EP-2328880-B1 6-SUBSTITUTED BENZOXAZINES AS 5-HT-5A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-10-31 — — EP disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 — — US disclosed
EP-2504011-A2 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT Afraxis, Inc. (US) 2012-10-03 — — EP disclosed
EP-2485733-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE Afraxis, Inc. (US) 2012-08-15 — — EP disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 — — US disclosed
EP-2453896-A2 METHODS FOR TREATING SCHIZOPHRENIA Afraxis, Inc. (US) 2012-05-23 — — EP disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 — — WO disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 — — EP disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 — — EP disclosed
WO-2010026110-A2 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — WO disclosed
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-11 — — US disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 — — EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 — — WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 — — US disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 — — US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 — — 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 (8 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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 LMNA 2858/4885HSD17B10 2958/4885CYP19A1 4167/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A LMNA 3363/4885HSD17B10 3224/4885CYP19A1 4733/4885
US-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C LMNA 3439/4885HSD17B10 2727/4885CYP19A1 1352/4885
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A LMNA 2383/4885HSD17B10 3340/4885CYP19A1 955/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 LMNA 3679/4885HSD17B10 2742/4885CYP19A1 4309/4885
US-20100063037-A1 6-SUBSTITUTED BENZOXAZINES HTR5A, NPY5R, GABRA5 LMNA 3682/4885HSD17B10 2713/4885CYP19A1 793/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 LMNA 4009/4885HSD17B10 2802/4885CYP19A1 4622/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 LMNA 3521/4885HSD17B10 1916/4885CYP19A1 4301/4885

“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.