Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752697

SCHEMBL3752697

SCHEMBL3752697

CCc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.70
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL3751123 0.91 TP53 (0.64) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3753630 0.91 TP53 (0.58) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3763278 0.89 TP53 (0.62) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3753002 0.89 MAPT (0.55) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3761396 0.88 TP53 (0.60) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3758943 0.87 TP53 (0.59) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3755883 0.86 TP53 (0.58) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13765636 0.86 TP53 (0.53) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL3756002 0.85 TP53 (0.81) TP53POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13765379 0.82 TP53 (0.61) TP53POLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 — — EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 — — EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 — — US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 — — 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 TP53 2220/4885POLB 2012/4885NPC1 4730/4885

“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.