SCHEMBL2212262

SCHEMBL2212262

CCCc1nc(C(=O)O)cc2c3ccccc3n(Cc3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FOLH1 Q04609 1/20 0.43
PPARG P37231 3/20 0.43
CCR2 P41597 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL2218201 0.93 AGTR1 (0.47) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL28273845 0.91 CYP19A1 (0.47) CYP19A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL2214735 0.91 CYP19A1 (0.47) CYP19A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL28273846 0.91 CYP19A1 (0.47) CYP19A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL28273840 0.90 CYP19A1 (0.46) AGTR1AGTR2CYP19A1KDM4EHSD17B10
SCHEMBL2214911 0.90 ALDH1A1 (0.44) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2216447 0.88 CNR2 (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL2215955 0.88 CYP19A1 (0.49) CYP19A1KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL2214021 0.88 PLA2G2A (0.43) ALDH1A1HPGDMEN1KMT2APLA2G2A
SCHEMBL28273854 0.86 KDM4E (0.52) AGTR1AGTR2KDM4EHSD17B10ALDH1A1

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
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP claimed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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 (1 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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 PDE4A 2212/4885PDE4B 1958/4885PDE4C 2245/4885

“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.