SCHEMBL4447249

SCHEMBL4447249

NCCc1cccc(-c2nnc(Cc3cccc(-c4nn[nH]n4)c3)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GP6 Q9HCN6 2/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ APLNR P35414 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4447240 0.84 HPGD (0.43) NPC1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL4449845 0.76 RAB9A (0.51) NPC1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL10066157 0.68 TP53 (0.65) TP53GP6IDO1ALDH1A1MRGPRX4
SCHEMBL18740242 0.68 TP53 (0.64) NPC1RAB9ALMNATP53ALDH1A1
SCHEMBL27387787 0.65 GP6 (0.55) NPC1RAB9ATP53GP6IDO1
SCHEMBL11006387 0.64 RAB9A (1.00) NPC1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL6033847 0.64 RAB9A (0.71) NPC1HPGDTSHRSMN1; SMN2RAB9A
SCHEMBL14352507 0.63 ADRB2 (0.53) SMN1; SMN2
SCHEMBL788085 0.63 GP6 (0.66) HPGDLMNAGP6IDO1ALDH1A1
SCHEMBL5670474 0.62 RAB9A (0.93) NPC1HPGDTSHRSMN1; SMN2RAB9A

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
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 — — US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 NPC1 211/4885HPGD 2528/4885TSHR 4811/4885

“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.

Send feedback