SCHEMBL7868808

SCHEMBL7868808

Cc1nc2cccc3nc(SCCCCN4C(=O)c5ccccc5C4=O)c1n23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE10A Q9Y233 1/20 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
SCHEMBL7863487 0.99 HSD17B10 (0.49) HSD17B10CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL7863462 0.76 KMT2A (0.45) ALDH1A1HPGDTDP1POLBTSHR
SCHEMBL7863477 0.75 ALDH1A1 (0.45) CYP1A2CYP2C19ALDH1A1HPGDTDP1
SCHEMBL7870352 0.75 ALDH1A1 (0.45) CYP1A2CYP2C19ALDH1A1HPGDTDP1
SCHEMBL7870359 0.74 KMT2A (0.47) ALDH1A1HPGDPOLBTSHRGAA
SCHEMBL7863478 0.71 ALDH1A1 (0.48) CYP1A2CYP2C19CYP3A4MAPTALDH1A1
SCHEMBL17266522 0.69 CYP1A2 (0.90) HSD17B10CYP1A2CYP2C19MAPTALDH1A1
SCHEMBL24742388 0.69 ALDH1A1 (0.53) HSD17B10CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL29988075 0.69 ALDH1A1 (0.53) HSD17B10CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL4796690 0.68 CYP1A2 (0.58) CYP1A2CYP2C19TDP1CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
EP-0771319-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-05-07 EP disclosed
WO-1996002542-A1 TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-01 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 (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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN HSD17B10 391/4885CYP1A2 595/4885CYP2C19 394/4885

“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.