SCHEMBL224220

SCHEMBL224220

CCOC(=O)c1ccc2c(c1)[C@H](Oc1ccc([N+](=O)[O-])cc1)C[C@H](C)N2C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MITF O75030 1/20 0.39

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
SCHEMBL15890945 0.88 KDM4E (0.44) KMT2ASMN1; SMN2MEN1MAPTCYP3A4
SCHEMBL223664 0.87 BRD4 (0.47) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL222902 0.87 LMNA (0.44) KMT2ASMN1; SMN2MEN1MAPTCYP1A2
SCHEMBL224531 0.87 BRD4 (0.47) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL224530 0.87 BRD4 (0.47) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL225382 0.87 BRD4 (0.45) KMT2ASMN1; SMN2MEN1MAPTCYP3A4
SCHEMBL223584 0.82 SIRT2 (0.45) KMT2ASMN1; SMN2MEN1TP53MAPT
SCHEMBL223427 0.80 KDM4E (0.43) SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL222791 0.80 KDM4E (0.43) SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL224314 0.80 KMT2A (0.43) KMT2ASMN1; SMN2MEN1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415764-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT Kowa Company, Ltd. (JP) 2012-02-08 EP disclosed
US-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT KOWA COMPANY, LTD. (JP) 2012-01-05 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 (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-20120004197-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR ANEMIA COMPRISING TETRAHYDROQUINOLINE COMPOUND AS ACTIVE INGREDIENT EPOR, HBG1, HBG2 KMT2A 1459/4885SMN1; SMN2 2091/4885MEN1 3904/4885

“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.