SCHEMBL18525000

SCHEMBL18525000

CCCC(C)(C)CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ATM Q13315 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19255440 0.98 ATM (0.31) ALDH1A1HRH3ATMLMNAHTT
SCHEMBL21119148 0.84 LTA4H (0.33) ALDH1A1HRH3TSHRTDP1
SCHEMBL14098302 0.83 LTA4H (0.35) ALDH1A1HRH3TSHRKDM4ETDP1
SCHEMBL19507607 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20332371 0.82 ALDH1A1 (0.33) ALDH1A1HRH3ATMLMNAHTT
SCHEMBL12718302 0.81 ALDH1A1 (0.37) ALDH1A1HRH3LMNATSHR
SCHEMBL20901286 0.81 LTA4H (0.38) ALDH1A1HRH3TSHRKDM4ETDP1
SCHEMBL19200152 0.80 ALDH1A1 (0.42) ALDH1A1HRH3ATMLMNAHTT
SCHEMBL20333626 0.80 SIGMAR1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2SIGMAR1
SCHEMBL19230337 0.80 HTT (0.36) ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof XUANZHU PHARMA CO, LTD. (CN) 2019-12-17 US disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 US disclosed
US-20170044160-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-02-16 US 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 (7 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885HRH3 2066/4885ATM 4023/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 ALDH1A1 4108/4885HRH3 1907/4885ATM 989/4885
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 ALDH1A1 691/4885HRH3 30/4885ATM 2097/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 ALDH1A1 691/4885HRH3 30/4885ATM 2097/4885
US-20170044160-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1C, TUBA1A ALDH1A1 2605/4885HRH3 4389/4885ATM 4096/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885HRH3 2066/4885ATM 4023/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885HRH3 3657/4885ATM 2958/4885

“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.