SCHEMBL9385223

SCHEMBL9385223

O=C(O)CCCC(=O)NCc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
HPGD P15428 2/20 0.69
ALOX15 P16050 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
POLB P06746 2/20 0.64
HTT P42858 1/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL16353932 0.91 SMN1; SMN2 (0.83) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL12125320 0.89 SMN1; SMN2 (0.80) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL16353805 0.85 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL1696118 0.85 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL30608941 0.85 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL8869291 0.85 SMN1; SMN2 (0.74) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL18381340 0.84 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL9369229 0.84 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL9351419 0.84 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL5862791 0.84 SMN1; SMN2 (0.72) SMN1; SMN2HPGDALOX15TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294260-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-05-21 US disclosed
US-20170247403-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2017-08-31 US disclosed
US-9670242-B2 Tetracyclic anthraquinone derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-06-06 US disclosed
EP-2824108-B1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES TIANJIN HEMAY BIO-TECH CO LTD (CN) 2017-04-19 EP disclosed
US-20150166595-A1 Tetracyclic Anthraquinone Derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2015-06-18 US disclosed
EP-2824108-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2015-01-14 EP disclosed
CN-104125962-A Tetracyclic anthraquinone derivatives TIANJIN HEMAY BIO TECH CO LTD 2014-10-29 CN disclosed
EP-0620818-A1 ARYL KETONES AS TESTOSTERONE 5$g(a)-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 EP disclosed
WO-1993013099-A1 ARYL KETONES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 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 (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-20150166595-A1 Tetracyclic Anthraquinone Derivatives ANTXR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBXA2R SMN1; SMN2 4065/4885HPGD 351/4885ALOX15 1943/4885
US-10294260-B2 Tetracyclic anthraquinone derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12, ANTXR2 SMN1; SMN2 2232/4885HPGD 297/4885ALOX15 1048/4885
US-20170247403-A1 TETRACYCLIC ANTHRAQUINONE DERIVATIVES ANTXR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TBXA2R SMN1; SMN2 4065/4885HPGD 351/4885ALOX15 1943/4885

“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.