SCHEMBL29356271

SCHEMBL29356271

O=C(Nc1ccc(Cc2ccc(F)c(Cl)c2)cn1)c1ccc(CO)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTR1A P08908 3/20 0.44
MAOB P27338 2/20 0.44
SCD O00767 1/20 0.43
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TSHR P16473 2/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
F10 P00742 2/20 0.42
TP53 P04637 3/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL21394659 1.00 HDAC3 (0.45) HDAC3HDAC1HDAC2HDAC6HTR1A
SCHEMBL29357089 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL21394623 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL21394466 0.86 ALDH1A1 (0.48) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL29356935 0.86 ALDH1A1 (0.48) HDAC3HDAC1HDAC2HDAC6RAB9A
SCHEMBL21394826 0.85 KDM4E (0.51) ALDH1A1CXCR2
SCHEMBL29358571 0.85 KDM4E (0.51) ALDH1A1CXCR2
SCHEMBL21394624 0.84 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL29358776 0.84 NPC1 (0.48) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL21395121 0.84 SMN1; SMN2 (0.46) HDAC3HDAC1HDAC2HDAC6MAOB

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 8 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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 HDAC3 172/4885HDAC1 276/4885HDAC2 396/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HDAC3 655/4885HDAC1 1659/4885HDAC2 922/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 HDAC3 655/4885HDAC1 1659/4885HDAC2 922/4885

“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.