SCHEMBL2694733

SCHEMBL2694733

CCc1cc(-c2c[nH]cn2)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.51
CAMKK2 Q96RR4 2/20 0.51
NEK2 P51955 1/20 0.43
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
DCLRE1B Q9H816 3/20 0.40

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
SCHEMBL2770912 0.78 DCLRE1B (0.59) SGK1CAMKK2NEK2GABRPGABRD
SCHEMBL21857153 0.77 KMT2A (0.59) CAMKK2ALPLKDM4EALDH1A1
SCHEMBL16057551 0.74 SGK1 (0.46) SGK1CAMKK2NEK2GABRPGABRD
SCHEMBL1759307 0.74 KMO (0.53) RAB9ASMN1; SMN2CA12CA9NPC1
Hydrochloric Acid SCHEMBL1502412 0.73 KMO (0.51) RAB9ASMN1; SMN2CA12CA9NPC1
SCHEMBL10397478 0.72 DCLRE1B (0.72) SGK1CAMKK2DCLRE1BDCLRE1AHSD17B1
SCHEMBL1502364 0.72 KDM4E (0.46) CAMKK2RAB9ASMN1; SMN2NPC1KDM4E
Hydrochloric Acid SCHEMBL1502313 0.70 KDM4E (0.45) CAMKK2RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL4482880 0.70 METAP2 (0.49) RAB9ASMN1; SMN2ALPLCA12CA9
SCHEMBL21857189 0.69 KDM4E (0.50) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 SGK1 2547/4885CAMKK2 2468/4885NEK2 778/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 SGK1 2547/4885CAMKK2 2468/4885NEK2 778/4885

“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.