SCHEMBL21394854

SCHEMBL21394854

O=C(Nc1ccc(Cc2cccc(F)c2)cn1)c1ccnnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.52
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
PKM P14618 3/20 0.50
TSHR P16473 1/20 0.50
CXCR2 P25025 2/20 0.44
NR3C2 P08235 1/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
CXCR1 P25024 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL29359193 1.00 WNT3A (0.52) WNT3ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394654 0.90 WNT3A (0.44) WNT3ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394696 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394650 0.86 PARP1 (0.41) WNT3ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29355382 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394763 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL29358776 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21394624 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL21395023 0.82 DEGS1 (0.40) WNT3ASIRT2
SCHEMBL21394724 0.81 NPC1 (0.48) WNT3ANPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (3 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 WNT3A 3414/4885NPC1 196/4885RAB9A 2778/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 WNT3A 3855/4885NPC1 72/4885RAB9A 2129/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 WNT3A 3855/4885NPC1 72/4885RAB9A 2129/4885

“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.