SCHEMBL597553

SCHEMBL597553

Cc1ccn(-c2ccc(O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC4 P56524 1/20 0.46
OXTR P30559 3/20 0.41
AVPR1A P37288 3/20 0.41
AVPR2 P30518 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TDO2 P48775 1/20 0.40
KAT6A Q92794 1/20 0.39
ENPP2 Q13822 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL12422701 0.83 HTT (0.59) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL18725064 0.81 HTT (0.58) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL5539090 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL2615994 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL5544146 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL3094889 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL1353764 0.79 HTT (0.56) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL17090986 0.79 HTT (0.51) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL541634 0.78 MAPT (0.55) HTTRAB9AMAPTALDH1A1KDM4E
SCHEMBL12436877 0.77 HTT (0.54) HTTRAB9AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336704-B Danshensu derivative and preparation method and medical application thereof 上海大学 2022-10-11 CN claimed
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
CN-113336704-B Danshensu derivative and preparation method and medical application thereof 上海大学 2022-10-11 CN disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2772482-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 WO disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
WO-2008019302-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-4268680-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-05-19 US disclosed
US-4244964-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-13 US disclosed
US-4232034-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-11-04 US disclosed
US-4229581-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4229460-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 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-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTB4R2, LTC4S, LTA4H HTT 3759/4885RAB9A 4363/4885MAPT 4854/4885
US-20140275006-A1 AZOLE DERIVATIVE AVPR1B, AVPR1A, AVPR2 HTT 70/4885RAB9A 469/4885MAPT 752/4885

“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.