SCHEMBL12803574

SCHEMBL12803574

CN(C)Cc1ccc(C[O])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.64
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.54
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ BRD4 O60885 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LSS P48449 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ TNKS O95271 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL659509 0.86 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6135480 0.79 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL6785180 0.79 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12679031 0.78 HRH3 (1.00) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL11700570 0.77 HRH3 (0.61) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL5358862 0.76 ALDH1A1 (0.37) HRH3ALDH1A1TSHRSMN1; SMN2
SCHEMBL12374 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL10050868 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL11312980 0.75 HRH3 (0.65) HRH3ALDH1A1TSHRTAAR1NOS3
Phosphine SCHEMBL25337730 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3

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-111655685-B Thiophene derivative and use thereof 藤本株式会社 2023-11-17 — — CN claimed
EP-3744719-B1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO LTD (JP) 2023-06-07 — — EP claimed
US-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO., LTD. (JP) 2021-03-04 — — US claimed
EP-3744719-A1 THIOPHENE DERIVATIVE AND USE THEREOF Fujimoto Co., Ltd. (JP) 2020-12-02 — — EP claimed
CN-111655685-A Thiophene derivative and use thereof 藤本株式会社 2020-09-11 — — CN claimed
CN-111655685-B Thiophene derivative and use thereof 藤本株式会社 2023-11-17 — — CN disclosed
EP-3744719-B1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO LTD (JP) 2023-06-07 — — EP disclosed
US-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF FUJIMOTO CO., LTD. (JP) 2021-03-04 — — US disclosed
EP-3744719-A1 THIOPHENE DERIVATIVE AND USE THEREOF Fujimoto Co., Ltd. (JP) 2020-12-02 — — EP disclosed
CN-111655685-A Thiophene derivative and use thereof 藤本株式会社 2020-09-11 — — CN disclosed
US-20120251492-A1 TRITERPENE DERIVATIVE AND AGENT FOR PREVENTING OR TREATING CHRONIC HEPATITIS C MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-10-04 — — 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 (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-20120251492-A1 TRITERPENE DERIVATIVE AND AGENT FOR PREVENTING OR TREATING CHRONIC HEPATITIS C NR1H3, CYP4A11, NR1H4 HRH3 290/4885ALDH1A1 843/4885TSHR 2833/4885
US-20210061795-A1 THIOPHENE DERIVATIVE AND USE THEREOF TNF, TPMT, CD47 HRH3 3144/4885ALDH1A1 226/4885TSHR 481/4885

“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.

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