SCHEMBL20117102

SCHEMBL20117102

Cc1nn(C)c2ccc(-c3noc(C4CCN(C(=O)N5CCCCC5)CC4)n3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.52
SMN1; SMN2 Q16637 6/20 0.47
POLB P06746 3/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMO Q99835 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL22357836 0.93 GRM5 (0.52) GRM5SMN1; SMN2POLBALOX12ALDH1A1
SCHEMBL20117028 0.85 GPR119 (0.48) SMN1; SMN2LMNATSHRHTTSMO
SCHEMBL22357828 0.84 SMN1; SMN2 (0.58) GRM5SMN1; SMN2POLBALOX12ALDH1A1
SCHEMBL22358357 0.83 NPSR1 (0.47) GRM5SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL22367064 0.83 LMNA (0.44) SMN1; SMN2LMNATSHRHTTSMO
SCHEMBL22357779 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNATSHRCYP2C9
SCHEMBL20116109 0.81 TUBB4A (0.50) SMN1; SMN2LMNATSHRSMOTUBB4A
SCHEMBL30506327 0.81 TUBB4A (0.50) SMN1; SMN2LMNATSHRSMOTUBB4A
SCHEMBL22357837 0.80 SMN1; SMN2 (0.55) GRM5SMN1; SMN2POLBALDH1A1LMNA
SCHEMBL20116469 0.80 NR1H4 (0.57) LMNAHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 GRM5 68/4885SMN1; SMN2 13/4885POLB 3788/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 GRM5 68/4885SMN1; SMN2 13/4885POLB 3788/4885

“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.