SCHEMBL4217851

SCHEMBL4217851

Nc1cc(Cl)cc(Cl)c1C(=O)NCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ P2RX7 Q99572 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ BCL2 P10415 1/20 0.46
▸ BCL2L1 Q07817 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ BCL2A1 Q16548 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ HTR4 Q13639 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ CHRM1 P11229 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
SCHEMBL17738962 0.76 NPC1 (0.49) NPC1RAB9AP2RX7MEN1KMT2A
SCHEMBL3437534 0.76 MEN1 (0.56) NPC1RAB9AMEN1KMT2ACA2
SCHEMBL27684193 0.76 NPC1 (0.57) NPC1RAB9AMEN1KMT2AEPHX1
SCHEMBL4217053 0.75 PRKCZ (0.46) MEN1KMT2ATDP1CNR2
SCHEMBL14734915 0.73 CNR2 (0.49) NPC1RAB9AMEN1KMT2AGRM4
SCHEMBL4070972 0.73 POLB (0.55) NPC1RAB9AMEN1KMT2ACA2
SCHEMBL16238646 0.72 NPC1 (0.41) NPC1RAB9AP2RX7MEN1KMT2A
SCHEMBL19397170 0.71 HTR4 (0.79) HTR4
SCHEMBL2917118 0.71 TDP1 (0.68) NPC1RAB9AMEN1KMT2ACA2
SCHEMBL22775547 0.70 MEN1 (0.60) NPC1MEN1KMT2ACA2TDP1

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-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 — — US disclosed
US-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 — — US disclosed
US-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-08-13 — — 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-20090203708-A1 NOVEL SUBSTITUTED-1-H-QUINAZOLINE-2,4-DIONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR5A, HTR3B, HTR1A NPC1 1875/4885RAB9A 1070/4885P2RX7 111/4885

“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.

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