SCHEMBL177218

SCHEMBL177218

O=c1[nH][nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.62
CTSL P07711 3/20 0.62
PARP15 Q460N3 3/20 0.57
PARP10 Q53GL7 3/20 0.57
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MDH2 P40926 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NSD2 O96028 1/20 0.55
ABL1 P00519 1/20 0.55
PPARG P37231 1/20 0.55
RIN1 Q13671 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
IP6K1 Q92551 1/20 0.53
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.52
IMPDH2 P12268 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
PARP2 Q9UGN5 1/20 0.52

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
Tert-Butyl Formate SCHEMBL27838963 0.88 CTSV (0.50) CTSVCTSLPARP15PARP10ALDH1A1
SCHEMBL31253965 0.78 NSD2 (0.61) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL16112035 0.78 NSD2 (0.61) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL2795363 0.75 CTSV (0.65) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL22725987 0.75 IP6K1 (0.60) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL14423791 0.75 PIK3CD (0.52) PARP15PARP10ALDH1A1PPARGALOX5
SCHEMBL5879262 0.75 CTSV (0.61) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL20772468 0.75 CTSV (0.61) CTSVCTSLALDH1A1HPGDNSD2
SCHEMBL12093616 0.75 DAO (0.46) CTSVCTSLPARP15PARP10ALDH1A1
SCHEMBL14422827 0.75 CTSV (0.83) CTSVCTSLALDH1A1HPGDMDH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 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 (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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 CTSV 3123/4885CTSL 3236/4885PARP15 4155/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 CTSV 2822/4885CTSL 3333/4885PARP15 4097/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A CTSV 1965/4885CTSL 2484/4885PARP15 4574/4885

“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.