SCHEMBL163384

SCHEMBL163384

O=C(c1ncccc1Cc1ccccc1)c1ncccc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
PAX8 Q06710 1/20 0.47
MET P08581 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
BLM P54132 1/20 0.43
AGER Q15109 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
LIMK2 P53671 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2960936 0.89 KDM4E (0.64) KDM4EMAPTCYP1A2PAX8MET
Hydrochloric Acid SCHEMBL8126278 0.88 KDM4E (0.62) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL28492022 0.86 KDM4E (0.47) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL30006999 0.86 KDM4E (0.47) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL1551666 0.85 KDM4E (0.46) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL15109804 0.82 KDM4E (0.44) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL6491001 0.82 PARP1 (0.52) KDM4EMAPTCYP1A2METL3MBTL1
SCHEMBL8883407 0.82 PAX8 (0.47) KDM4EMAPTCYP1A2PAX8MET
SCHEMBL10625865 0.81 CYP11B1 (0.47) KDM4ESMN1; SMN2CYP2C9CYP11B1CYP11B2
SCHEMBL15109765 0.81 KDM4E (0.43) KDM4EMAPTCYP1A2PAX8MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169951-A PROCESS FOR THE PRODUCTION OF SUBSTITUTED PYRIDINE (B) DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-02 US claimed
US-20030120088-A1 Optically active azetidincarboxamide-coordinated transition metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
US-4169951-A PROCESS FOR THE PRODUCTION OF SUBSTITUTED PYRIDINE (B) DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-10-02 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-20030120088-A1 Optically active azetidincarboxamide-coordinated transition metal complexes AAAS, AP1M1, AP2A1 KDM4E 1847/4885MAPT 4413/4885CYP1A2 1353/4885

“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.